1@STRING{ajc = "Austr.~J.~Chem."}
2@STRING{ijqcqcs = "Int.~J.~Quantum Chem.:Quantum Chem.~Symp."}
3@STRING{jcsdt = "J.~Chem.~Soc., Dalton Trans."}
4@STRING{znb = "Z.~Naturforsch.\ {\bf B}"}
5@STRING{zna = "Z.~Naturforsch.\ {\bf A}"}
6@STRING{jrs = "J.~Raman Spectrosc."}
7@STRING{aciee = "Angew.~Chem.~Int.~Ed.~Engl."}
8@STRING{cmr = "Conc.~Magn.~Reson."}
9@STRING{hca = "Helv.~Chim.~Acta"}
10@STRING{ic = "Inorg.~Chem."}
11@STRING{cpc = "Comp.~Phys.~Commun."}
12@STRING{jpc = "J.~Phys.~Chem."}
13@STRING{jacs = "J.~Am.~Chem.~Soc."}
14@STRING{jcp = "J.~Chem.~Phys."}
15@STRING{cpl = "Chem.~Phys.~Lett."}
16@STRING{ijqc = "Int.~J.~Quantum Chem."}
17@STRING{jcc = "J.~Comput.~Chem."}
18@STRING{tca = "Theor.~Chim.~Acta"}
19@STRING{tcan = "Theor.~Chem.~Acc."}
20@STRING{jmr = "J.~Magn.~Reson."}
21@STRING{jmra = "J.~Magn.~Reson.~{\bf A}"}
22@STRING{jpcrd = "J.~Phys.~Chem.~Ref.~Data"}
23@STRING{eic = "Education in Chemistry"}
24@STRING{jcspt2 = "J.~Chem.~Soc., Perkin Trans.\ 2"}
25@STRING{sa = "Spectrochim.~Acta {\bf A}"}
26@STRING{jpbamp = "J.~Phys.\ B: At.~Mol.~Phys."}
27@STRING{jpamg = "J.~Phys.\ A: Math.~Gen."}
28@STRING{mp = "Mol.~Phys."}
29@STRING{mric = "Magn.~Reson. in Chem."}
30@STRING{gci = "Gazzetta Chim.~Ital."}
31@STRING{cp = "Chem.~Phys."}
32@STRING{pm = "Phil.~Mag."}
33@STRING{jcics = "J.~Chem.~Inf.~Comput.~Sci."}
34@STRING{cr = "Chem.~Rev."}
35@STRING{csr = "Chem.~Soc.~Rev"}
36@STRING{jms = "J.~Mol.~Struct."}
37@STRING{cjc = "Can.~J.~Chem."}
38@STRING{jmc = "J.~Math.~Chem."}
39@STRING{pr = "Phys.~Rev."}
40@STRING{pra = "Phys.~Rev. {\bf A}"}
41@STRING{jpoc = "J.~Phys.~Org.~Chem."}
42@STRING{jcsft = "J.~Chem.~Soc.\ Faraday Trans."}
43@STRING{acs = "Acta Chem.~Scand."}
44@STRING{csj = "Chem.~Soc.~Jpn."}
45@STRING{bcsj = "Bull.~Chem.~Soc.~Jpn."}
46@STRING{jcscc = "J.~Chem.~Soc.~,Chem.~Commun."}
47@STRING{jce = "J.~Chem.~Educ."}
48@STRING{mpla = "Mod.~Phys.~Lett.\ {\bf A}"}
49@STRING{ajp = "Am.~J.~Phys."}
50@STRING{cb = "Chem.~Ber."}
51@STRING{tfs = "Trans.~Faraday Soc."}
52%
53%
54%	1992
55%
56%
57@ARTICLE{mjhjajpjarthkrcpl191,
58	AUTHOR = {M.~Jaszu\'{n}ski and H.~J.~Aa.~Jensen and P.~J{\o}rgensen
59	          and A.~Rizzo and T.~Helgaker and K.~Ruud},
60	KEY = {The magnetic hyperpolarizability anisotropy of the neon
61	       atom},
62	JOURNAL = cpl ,
63	VOLUME = 191 ,
64	YEAR = 1992 ,
65	PAGES = 599 }
66%
67%
68%	1993
69%
70%
71@ARTICLE{mjklbpjthkrhjajcpl204,
72	AUTHOR = {M.~Jaszu\'{n}ski and K.~L.~Bak and P.~J{\o}rgensen and
73	          T.~Helgaker and K.~Ruud and H.~J.~Aa.~Jensen},
74	KEY = {Nuclear magnetic shielding tensor for the ethylenic
75	       carbon atom in tetrachlorocyclopropene},
76	JOURNAL = cpl ,
77	VOLUME = 204 ,
78	YEAR = 1993 ,
79	PAGES = 608 }
80
81@ARTICLE{klbpjthkrhjajjcp98,
82	AUTHOR = {K.~L.~Bak and P.~J{\o}rgensen and T.~Helgaker and K.~Ruud
83	          and H.~J.~Aa.~Jensen},
84	KEY = {Gauge-origin independent multiconfigurational
85	       self-consistent-field theory for vibrational circular
86	       dichroism},
87	JOURNAL = jcp ,
88	VOLUME = 98 ,
89	YEAR = 1993 ,
90	PAGES = 8873 }
91
92@ARTICLE{krthklbpjhjajjcp99,
93	AUTHOR = {K.~Ruud and T.~Helgaker and K.~L.~Bak and P.~J{\o}rgensen
94	          and H.~J.~Aa.~Jensen},
95	KEY = {Hartree-Fock limit magnetizabilities from London
96	       orbitals},
97	JOURNAL = jcp ,
98	VOLUME = 99 ,
99	YEAR = 1993 ,
100	PAGES = 3847 }
101%
102%
103%	1994
104%
105%
106@ARTICLE{mjthkrklbpjcpl220,
107	AUTHOR = {M.~Jaszu\'{n}ski and T.~Helgaker and K.~Ruud and
108	          K.~L.~Bak and P.~J{\o}rgensen},
109	KEY = {MCSCF calculations of nitrogen NMR shielding
110	       constants using London atomic orbitals},
111	JOURNAL = cpl ,
112	VOLUME = 220 ,
113	YEAR = 1994 ,
114	PAGES = 154 }
115
116@ARTICLE{mjpjarkrthcpl222,
117	AUTHOR = {M.~Jaszu\'{n}ski and P.~J{\o}rgensen and A.~Rizzo and
118	          K.~Ruud and T.~Helgaker},
119	KEY = {MCSCF calculations of Verdet constants},
120	JOURNAL = cpl ,
121	VOLUME = 222 ,
122	YEAR = 1994 ,
123	PAGES = 263 }
124
125@ARTICLE{klbpjthkrhjajjcp100,
126	AUTHOR = {K.~L.~Bak and P.~J{\o}rgensen and T.~Helgaker and K.~Ruud
127	          and H.~J.~Aa.~Jensen},
128	KEY = {Basis set convergence of atomic axial tensors obtained
129	       from self-consistent field calculations using London
130	       atomic orbitals},
131	JOURNAL = jcp ,
132	VOLUME = 100 ,
133	YEAR = 1994 ,
134	PAGES = 6620 }
135
136@ARTICLE{krthrkpjklbhjajjcp100,
137	AUTHOR = {K.~Ruud and T.~Helgaker and R.~Kobayashi and
138	 	  P.~J{\o}rgensen and K.~L.~Bak and H.~J.~Aa.~Jensen},
139	KEY = {Multiconfigurational Self Consistent Field (MCSCF)
140	       calculations of nuclear shieldings using London atomic
141	       orbitals},
142	JOURNAL = jcp ,
143	VOLUME = 100 ,
144	YEAR = 1994 ,
145	PAGES = 8178 }
146
147@ARTICLE{krthpjklbcpl223,
148	AUTHOR = {K.~Ruud and T.~Helgaker and P.~J{\o}rgensen and K.~L.~Bak},
149	KEY = {Theoretical calculations of the magnetizability of some
150	       small fluorine-containing molecules using London atomic
151	       orbitals},
152	JOURNAL = cpl ,
153	VOLUME = 223 ,
154	YEAR = 1994 ,
155	PAGES = 12 }
156
157@ARTICLE{krthklbpjcpl226,
158	AUTHOR = {K.~Ruud and T.~Helgaker and P.~J{\o}rgensen and  K.~L.~Bak},
159	KEY = {An {\it ab initio} Nuclear Magnetic Resonance spectrum
160	       of vinyllithium},
161	JOURNAL = cpl ,
162	VOLUME = 226 ,
163	YEAR = 1994 ,
164	PAGES = 1 }
165
166@ARTICLE{abthmjpjkrjcp101,
167	AUTHOR = {A.~Barszczewicz and T.~Helgaker and M.~Jaszu\'{n}ski and
168                  P.~J{\o}rgensen and K.~Ruud},
169	KEY = {Multiconfigurational self-consistent field calculations
170	       of nuclear magnetic resonance indirect spin-spin
171	       coupling constants},
172	JOURNAL = jcp ,
173	VOLUME = 101 ,
174	YEAR = 1994 ,
175	PAGES = 6822 }
176
177@ARTICLE{krhsthklbpjjacs116,
178	AUTHOR = {K.~Ruud and H.~Skaane and T.~Helgaker and K.~L.~Bak and
179	          P.~J{\o}rgensen},
180	KEY = {Magnetizability of hydrocarbons},
181	JOURNAL = jacs ,
182	VOLUME = 116 ,
183	YEAR = 1994 ,
184	PAGES = 10135 }
185
186@ARTICLE{klbpjthkrfd99,
187	AUTHOR = {K.~L.~Bak and P.~J\o rgensen and T.~Helgaker and K.~Ruud},
188	KEY = {Basis Set Convergence and Correlation Effects in
189	       Vibrational Circular Dichroism Calculations using
190	       London Atomic Orbitals},
191	JOURNAL = {Faraday Discuss.},
192	VOLUME = 99 ,
193	YEAR = 1994 ,
194	PAGES = 121 }
195
196@ARTICLE{thkrklbpjjofd99,
197	AUTHOR = {T.~Helgaker and K.~Ruud and K.~L.~Bak and P.~J{\o}rgensen
198	          and J.~Olsen},
199	KEY = {Vibrational Raman Optical Activity Calculations Using
200 	       London Atomic Orbitals},
201	JOURNAL = {Faraday Discuss.},
202	VOLUME = 99 ,
203	YEAR = 1994 ,
204	PAGES = 165 }
205%
206%
207%	1995
208%
209%
210@ARTICLE{krthjopjklbcpl235,
211	AUTHOR = {K.~Ruud and T.~Helgaker and J.~Olsen and P.~J{\o}rgensen
212	          and K.~L.~Bak},
213	KEY = {A numerically stable orbital connection for the
214	       calculation of analytical Hessians using perturbation
215	       dependent basis sets},
216	JOURNAL = cpl ,
217	VOLUME = 235 ,
218	YEAR = 1995 ,
219	PAGES = 47 }
220
221@ARTICLE{joklbkrthpjtca90,
222	AUTHOR = {J.~Olsen and K.~L.~Bak and K.~Ruud and T.~Helgaker and
223	          P.~J{\o}rgensen},
224	KEY = {Orbital Connections for Perturbation Dependent Basis
225	       Sets},
226	JOURNAL = tca ,
227	VOLUME = 90 ,
228	YEAR = 1995 ,
229	PAGES = 421 }
230
231@ARTICLE{klbaehkrthjopjtca90,
232	AUTHOR = {K.~L.~Bak and Aa.~E.~Hansen and K.~Ruud and T.~Helgaker
233	          and J.~Olsen and P.~J{\o}rgensen},
234	KEY = {{\it Ab initio} calculation of electronic circular
235	        dichroism for trans-cyclooctene using London atomic
236	        orbitals},
237	JOURNAL = tca ,
238	VOLUME = 90 ,
239	YEAR = 1995 ,
240	PAGES = 441 }
241
242@ARTICLE{eloamlohskrtheutvems1,
243	AUTHOR = {E.~L.~{\O}iestad and {\AA}.~M.~L.~{\O}iestad and H.~Skaane
244	          and K.~Ruud and T.~Helgaker and E.~Uggerud and
245	          T.~Vulpius},
246	KEY = {Loss of H2 from CH3NH3+, CH3OH2+, and CH3FH+. reaction
247	       mechanisms and dynamics from observation of metastable
248	       ion fragments and ab initio calculations},
249	JOURNAL = {Europ.~Mass Spectrom.},
250	VOLUME = 1 ,
251	YEAR = 1995 ,
252	PAGES = 121 }
253
254@ARTICLE{abthmjpjkrjmra114,
255	AUTHOR = {A.~Barszczewicz and T.~Helgaker and M.~Jaszu\'{n}ski
256	          and P.~J{\o}rgensen and K.~Ruud},
257	KEY = {NMR shielding constants and spin-spin coupling
258               constants in HCN, HNC, CH3CN, and CH3NC molecules},
259	JOURNAL = jmra ,
260	VOLUME = 114 ,
261	YEAR = 1995 ,
262	PAGES = 212 }
263
264@ARTICLE{krthklbpjjocp195,
265	AUTHOR = {K.~Ruud and T.~Helgaker and K.~L.~Bak and P.~J{\o}rgensen
266		  and J.~Olsen},
267	KEY = {Accurate magnetizabilities of the isoelectronic series
268	       BeH$^{-}$, BH and CH$^{+}$. The MCSCF-GIAO approach},
269	JOURNAL = cp ,
270	VOLUME = 195 ,
271	YEAR = 1995 ,
272	PAGES = 157 }
273
274@ARTICLE{arthkrabmjpjjcp102,
275	AUTHOR = {A.~Rizzo and T.~Helgaker and K.~Ruud and A.~Barszczewicz
276	          and M.~Jaszu\'{n}ski and P.~J{\o}rgensen},
277	KEY = {Electric field dependence of magnetic properties:
278	       Multiconfigurational self-consistent field calculations
279	       of hypermagnetizabilities and shielding
280	       polarizabilities},
281	JOURNAL = jcp ,
282	VOLUME = 102 ,
283	YEAR = 1995 ,
284	PAGES = 8953 }
285
286@ARTICLE{mjthkrpjklbhkmp85,
287	AUTHOR = {M.~Jaszu\'{n}ski and T.~Helgaker and K.~Ruud and
288	          P.~J{\o}rgensen and K.~L.~Bak and H.~Koch},
289	KEY = {SCF calculations of the NMR shielding tensor for the
290	       ethylenic carbon atom in C3Cl4},
291	JOURNAL = mp ,
292	VOLUME = 85 ,
293	YEAR = 1995 ,
294	PAGES = 671 }
295
296@ARTICLE{mjssocpjthkrcpl243,
297	AUTHOR = {M.~Jaszu\'{n}ski and S.~Szym\'{a}nski and
298	          O.~Christiansen and P.~J{\o}rgensen and T.~Helgaker and
299   	          K.~Ruud},
300	KEY = {NMR properties of N3- - a comparison of theory and
301	       experiment},
302	JOURNAL = cpl ,
303	VOLUME = 243 ,
304	YEAR = 1995 ,
305	PAGES = 144 }
306
307@ARTICLE{tbpaehcpl246,
308	AUTHOR  = {T.~B.~Pedersen and Aa.~E.~Hansen},
309	TITLE   = {{\it Ab initio} calculation and display of the
310	           rotatory strength tensor in the random phase approximation:
311	           Method and model studies},
312	JOURNAL = cpl,
313	VOLUME  = 246,
314	YEAR    = 1995,
315	PAGES   = {1-8} }
316
317@Article{krprtpoacpl337,
318  author = 	 {K.~Ruud and P.~R.~Taylor and P.-O.~{\AA}strand},
319  journal = 	 cpl,
320  year = 	 {2001},
321  key = 	 {Zero-point vibrational effects on optical rotation},
322  volume = 	 {337},
323  pages = 	 {215}
324}
325
326@INCOLLECTION{thkrprt95,
327	AUTHOR = {T.~Helgaker, K.~Ruud and P.~R.~Taylor},
328	EDITOR = {D.~Heidrich},
329	TITLE = {Second-Order Methods for the Optimization of
330	         Molecular Potential Energy Surfaces},
331	BOOKTITLE = {The reaction path in Chemistry: Current
332	             Approaches and Perspectives},
333	PUBLISHER = {Kluwer, Netherlands},
334	YEAR = 1995 }
335
336@ARTICLE{jgkrijqccs29,
337	AUTHOR = {J.~Gauss and K.~Ruud},
338	KEY = {On the Convergence of MBPT and CC Nuclear Magnetic
339	       Shielding Constants of BH towards the Full CI limit},
340	JOURNAL = {Int.~J.~Quantum Chem.:~Quantum~Chem.~Symp.},
341	VOLUME = 29 ,
342	YEAR = 1995 ,
343	PAGES = 437 }
344
345@ARTICLE{abmjthkrcpl250,
346	AUTHOR = {A.~Barszczewicz and M.~Jaszu\'{n}ski and T.~Helgaker
347	          and K.~Ruud},
348	KEY = {Long-range effects of interatomic interactions on the
349	       NMR shielding constants},
350	JOURNAL = cpl ,
351	VOLUME = 250 ,
352	YEAR = 1996 ,
353	PAGES = 1 }
354
355@ARTICLE{pndjhapdkrthhkcpl253,
356	AUTHOR = {P.~Norman and D.~Jonsson and H.~{\AA}gren and P.~Dahle
357	          and K.~Ruud and T.~Helgaker and H.~Koch},
358	KEY = {Efficient parallel implementation of response theory:
359	       Calculations of the second hyperpolarizability of
360	       polyacenes},
361	JOURNAL = cpl ,
362	VOLUME = 253 ,
363	YEAR = 1996 ,
364	PAGES = 1 }
365
366@ARTICLE{kvmkrthcpl253,
367	AUTHOR = {K.~V.~Mikkelsen and K.~Ruud and T.~Helgaker},
368	KEY = {Magnetizabilities and Nuclear Shielding Constants of
369	       Solvated Water},
370	JOURNAL = cpl ,
371	VOLUME = 253 ,
372	YEAR = 1996 ,
373	PAGES = 443 }
374
375@ARTICLE{scarkrthmp88,
376	AUTHOR = {S.~Coriani and A.~Rizzo and K.~Ruud and T.~Helgaker},
377	KEY = {MCSCF calculations of hypermagnetizabilities and
378	       nuclear shielding polarizabilities of CO and CH4},
379	JOURNAL = mp ,
380	VOLUME = 88 ,
381	YEAR = 1996 ,
382	PAGES = 931 }
383
384@ARTICLE{pabtkrkrcp208,
385	AUTHOR = {P.~A.~Braun and T.~K.~Rebane and K.~Ruud},
386	KEY = {Vibrational magnetism of HCN and its isotopomers using
387	       rotational London atomic orbitals},
388	JOURNAL = cp ,
389	VOLUME = 208 ,
390	YEAR = 1996 ,
391	PAGES = 341 }
392
393@ARTICLE{mjthkrmric34,
394	AUTHOR = {M.~Jaszu\'{n}ski and T.~Helgaker and K.~Ruud},
395	KEY = {Ab initio studies of the [AX]2 spin system of cis- and
396	       trans-N2F2},
397	JOURNAL = {Magn.~Reson.~Chem.},
398	VOLUME = 34 ,
399	YEAR = 1996 ,
400	PAGES = 646 }
401
402@ARTICLE{jgkrthjcp105,
403	AUTHOR = {J.~Gauss and K.~Ruud and T.~Helgaker},
404	KEY = {Perturbation-dependent atomic orbitals for the
405	calculation of spin-rotation constants and rotational {\em g}
406	tensors},
407	JOURNAL = jcp ,
408	VOLUME = 105 ,
409	YEAR = 1996 ,
410	PAGES = 2804
411}
412#        NOTE = {See also Cybulski, S.~M. and Bishop, D.~M. {\em ibid.\/}
413#                  {\bf 1997}, {\it 106}, 4357}
414
415@ARTICLE{hhbthkreujpc100,
416	AUTHOR = {H.~-H.~Bueker and T.~Helgaker and K.~Ruud and
417	          E.~Uggerud},
418	KEY = {Energetics and Dynamics of Intermolecular
419	       Proton-Transfer Processes. 2. Ab initio Direct Dynamics
420	       Calculations of the Reaction H3O+ + NH3 -> NH4+ + H2O},
421	JOURNAL = jpc ,
422	VOLUME = 100 ,
423	YEAR = 1996 ,
424	PAGES = 15388 }
425
426@ARTICLE{krpoathkvmjms388,
427	AUTHOR = {K.~Ruud and {\mbox P.-O.}~{\AA}strand and T.~Helgaker and
428	          K.~V.~Mikkelsen},
429	KEY = {Full CI calculations of the magnetizability and
430	       rotational g factor of the hydrogen molecule},
431        JOURNAL = {J.~Mol.~Struct., (THEOCHEM)},
432        VOLUME = 388 ,
433        YEAR = 1996 ,
434        PAGES = 231 }
435
436@ARTICLE{poakvmkrthjpc100,
437	AUTHOR = {{\mbox P.-O.}~{\AA}strand and K.~V.~Mikkelsen and K.~Ruud and
438	          T.~Helgaker},
439	KEY = {Magnetizabilities and nuclear shielding constants of
440	       the fluoromethanes in gas phase and solution},
441        JOURNAL = jpc ,
442        VOLUME = 100 ,
443        YEAR = 1996 ,
444        PAGES = 19771 }
445%
446%
447%	1997
448%
449%
450@ARTICLE{krthcpl264,
451	AUTHOR = {K.~Ruud and T.~Helgaker},
452	KEY = {The magnetizability, rotational g tensor, and
453	quadrupole moment of PF3 revisited},
454	JOURNAL = cpl ,
455	VOLUME = 264 ,
456	YEAR = 1997 ,
457	PAGES = 17 }
458
459@ARTICLE{kvmpjkrthjcp106,
460	AUTHOR = {K.~V.~Mikkelsen and P.~J{\o}rgensen and K.~Ruud and
461	          T.~Helgaker},
462	KEY = {A Multipole Reaction Field Model for Gauge Origin
463	       Independent Magnetic Properties of Solvated Molecules},
464        JOURNAL = jcp ,
465        VOLUME = 106 ,
466        YEAR = 1997 ,
467        PAGES = 1170 }
468
469@ARTICLE{bfocpjjbjgkrjcp106,
470        AUTHOR = {B.~Fernandez and O.~Christiansen and P.~J{\o}rgensen
471                  and J.~Byberg and J.~Gauss and K.~Ruud},
472        JOURNAL = jcp ,
473        VOLUME = 106 ,
474        YEAR = 1997 ,
475        PAGES = 1847 }
476
477@ARTICLE{scarkrthcp216,
478	AUTHOR = {S.~Coriani and A.~Rizzo and K.~Ruud and T.~Helgaker},
479	KEY = {Cotton-Mouton effect and shielding polarizabilties of
480	ethylene: an MCSCF study},
481        JOURNAL = cp ,
482        VOLUME = 216 ,
483        YEAR = 1997 ,
484        PAGES = 53 }
485
486@MISC{krtheujms393,
487	AUTHOR = {K.~Ruud and T.~Helgaker and E.~Uggerud},
488	KEY = {Mechanisms, energetics and dynamics of a key reaction
489	       sequence during the decomposition of nitromethane: HNO +
490	       HNO -> N2O + H2O},
491        JOURNAL = {J.~Mol.~Struct. (THEOCHEM)},
492        VOLUME = 393 ,
493        YEAR = 1997 ,
494        PAGES = 59 }
495
496@ARTICLE{poakrkvmthcpl271,
497	AUTHOR = {{\mbox P.-O.}~{\AA}strand and K.~Ruud and K.~V.~Mikkelsen and
498	T.~Helgaker},
499	KEY = {The magnetizability anisotropy and rotational g factor
500	of deuterium hydride and the deuterium molecule},
501        JOURNAL = cpl ,
502        VOLUME = 271 ,
503        YEAR = 1997 ,
504        PAGES = 163 }
505
506@ARTICLE{krtharsckvmjcp107,
507	AUTHOR = {K.~Ruud and T.~Helgaker and A.~Rizzo and S.~Coriani and
508	K.~V.~Mikkelsen},
509	KEY = {The Cotton-Mouton Effect (CME) of liquid water. Part I:
510	The dielectric continuum model},
511	JOURNAL = jcp,
512        VOLUME = 107 ,
513        YEAR = 1997 ,
514        PAGES = 894 }
515
516@Article{thmjkrmp91,
517  author = 	 {T.~Helgaker and M.~Jaszu\'{n}ski and K.~Ruud},
518  journal = 	 mp,
519  year = 	 {1997},
520  key = 	 {Ab-initio calculations of the NMR shielding and
521                  indirect spin-spin coupling constants of
522                  fluoroethylene},
523  volume = 	 {91},
524  pages = 	 {881}
525}
526
527@ARTICLE{jljvyhapjjmakkrjcp107,
528	AUTHOR = {J.~Lounila and J.~Vaara and Y.~Hiltunen and
529                  A.~Pulkkinen and J.~Jokisaari and M.~Ala-Korpela and
530	          K.~Ruud},
531	KEY = {Secondary Isotope Effects on the 13C and 77Se Nuclear
532	       Shielding in Carbon Diselenide},
533        JOURNAL = jcp ,
534        VOLUME = 107 ,
535        YEAR = 1997 ,
536        PAGES = 1350 }
537
538@ARTICLE{poakrkvmthmp92,
539	AUTHOR = {{\mbox P.-O}.~{\AA}strand and K.~Ruud and K.~V.~Mikkelsen and
540	          T.~Helgaker},
541	KEY = {Electric and magnetic properties of the nitroethene molecule},
542        JOURNAL = mp ,
543        VOLUME = 92 ,
544        YEAR = 1997 ,
545        PAGES = 89 }
546
547@ARTICLE{krthpjjcp107,
548	AUTHOR = {K.~Ruud and T.~Helgaker and P.~J{\o}rgensen},
549	KEY = {The effect of correlation on molecular
550	magnetizabilities and rotational {\em g} tensor},
551	JOURNAL = jcp ,
552        VOLUME = 107 ,
553        PAGES = 10599 ,
554        YEAR = 1997 }
555%
556%
557%	1998
558%
559%
560@ARTICLE{krhapdtharschkkoshkvmjcp108,
561	AUTHOR = {K.~Ruud and H.~Agren and P.~Dahle and T.~Helgaker
562                  and A.~Rizzo and S.~Coriani and H.~Koch and
563                  K.~O.~Sylvester-Hvid and K.~V.~Mikkelsen},
564	KEY = {The Cotton-Mouton Effect (CME) of liquid water. Part
565	II: The semi-continuum model},
566	JOURNAL = jcp ,
567        VOLUME = 108 ,
568        YEAR = 1998 ,
569        PAGES = 599 }
570
571@ARTICLE{poakvmpjkrthjcp108,
572	AUTHOR = {{\mbox P.-O}.~{\AA}strand and K.~V.~Mikkelsen and
573                  P.~J{\o}rgensen and K.~Ruud and T.~Helgaker},
574	KEY = {The solvent effects on the shieldings and spin-spin
575	couplings of H$_{2}$Se},
576        JOURNAL = jcp ,
577        VOLUME = 108 ,
578        YEAR = 1998 ,
579        PAGES = 2528}
580
581@ARTICLE{ylkrpndjhajpcb102,
582  author = 	 {Y.~Luo and K.~Ruud and P.~Norman and D.~Jonsson and
583                  H.~{\AA}gren},
584  key = 	 {Saturation of the optical band gap and properties of
585                  five-membered heteroaromatic oligomers},
586  journal = jpcb ,
587  volume = 102 ,
588  year = 1998 ,
589  pages = 1710
590}
591
592@Article{kvdhskrthzna53,
593	AUTHOR = {K.~Voges and D.~H.~Sutter and K.~Ruud and T.~Helgaker},
594	KEY = {The Molecular Zeeman Effect of Norbornadiene, its
595                  g-Values, Magnetizability Anisotopies, and Molecular
596                  Electric Quadrupole Moment; A High-Resolution
597                  Micorwave Fourier-Transform Study Combined With
598                  Quantum Chemical Calculations},
599        JOURNAL = zna ,
600        VOLUME = 53 ,
601        YEAR = 1998 ,
602        PAGES = 67 }
603
604@article{ylpnkrhacpl285,
605  key = 	 {Molecular length dependence of optical properties in
606                  conjugated molecules},
607  author = 	 {Y.~Luo and P.~Norman and K.~Ruud and H.~{\AA}gren},
608  journal = cpl ,
609  volume = 285 ,
610  year = 1998 ,
611  pages = 160
612}
613
614@article{krhathpdhkprtcpl285,
615        AUTHOR = {K.~Ruud and H.~{\AA}gren and T.~Helgaker and P.~Dahle
616                  and H.~Koch and P.~R.~Taylor},
617        key = {The Hartree-Fock magnetizability of C60},
618        journal = cpl ,
619        volume = 285 ,
620        year = 1998 ,
621        pages = 205 }
622
623@Article{scmjarkrcpl287,
624  key = 	 {MCSCF nuclear chemical shieldings of ozone and
625                  spin-rotation constants in 16O17O16O and 17O16O16O},
626  author = 	 {S.~Coriani and M.~Jaszu\'{n}ski and A.~Rizzo and
627                  K.~Ruud},
628  journal =      cpl ,
629  volume =       287 ,
630  year =         1998 ,
631  pages =        677
632}
633
634@ARTICLE{krdjpnhatshjajpdthjcp108,
635        AUTHOR = {K.~Ruud and D.~Jonsson and P.~Norman and H.~{\AA}gren
636                  and T.~Saue and H.~J.~Aa.~Jensen and P.~Dahle and
637                  T.~Helgaker},
638        KEY = {Generalized integral-screening for efficient
639                  calculations of nonlinear optical properties of
640                  large molecules},
641        JOURNAL = jcp,
642        VOLUME = 108 ,
643        YEAR = 1998 ,
644        PAGES = 7973 }
645
646@ARTICLE{thmjkragtcan99,
647  key = 	 {Basis-set dependence of nuclear spin-spin coupling constants},
648  author = 	 {T.~Helgaker and M.~Jaszu\'{n}ski and K.~Ruud and
649                  A.~G\'{o}rska},
650  journal = tcan ,
651  volume = 99 ,
652  year = 1998 ,
653  pages = 175
654}
655
656@Article{ahwskrgsmajdosjacs120,
657  key = 	 {On the Nature and Incidence of beta-Agostic
658                  Interactions in Ethyl Derivatives of Early
659                  Transition Metals: Ethyltitanium Trichloride and
660                  Related Compounds},
661  author = 	 {A.~Haaland and W.~Scherer and K.~Ruud and
662                  G.~S.~McGrady and A.~J.~Downs and O.~Swang},
663  journal = 	 jacs ,
664  volume =       120 ,
665  year =         1998 ,
666  pages =        3762
667}
668
669@Article{djylkrpnhacpl288,
670  key = 	 {Calculations of circular intensity differences in
671                  electric field induced second harmonic generation},
672  author = 	 {D.~Jonsson and Y.~Luo and K.~Ruud and P.~Norman and
673                  H.~{\AA}gren},
674  journal = cpl ,
675  volume = 288 ,
676  year = 1998 ,
677  pages = 371
678}
679
680@ARTICLE{djpnkrhathjcp109,
681  author = 	 {D.~Jonsson and P.~Norman and K.~Ruud and H.~{\AA}gren
682                  and T.~Helgaker},
683  key = 	 {The electric and magnetic properties of fullerenes},
684  journal =      jcp ,
685  volume = 109 ,
686  year = 1998 ,
687  pages = 572
688}
689
690@ARTICLE{thmjkrpjc72,
691        AUTHOR = {T.~Helgaker and M.~Jaszu\'{n}ski and K.~Ruud},
692        key = {Full CI calculations of magnetic properties of the H2
693                  molecule in the B1 Sigma_u^+ state},
694        JOURNAL = {Pol.~J.~Chem.},
695        VOLUME = 72 ,
696        YEAR = 1998 ,
697        PAGES = 1405 }
698
699@Article{jvkrovhajjjcp109,
700  key = 	 {MCSCF Quadratic Response Calculations of Electronic
701                  Spin-Orbit Contributions to Nuclear Shielding
702                  Tensors},
703  author = 	 {J.~Vaara and K.~Ruud and O.~Vahtras and H.~{\AA}gren
704                  and J.~Jokisaari},
705  journal =      jcp ,
706  year = 1998 ,
707  volume = 109 ,
708  pages = 1212
709}
710
711@Article{yldjpnkrovbmhaarkvmijqc70,
712  key = 	 {Some Recent Developments of High-Order Response Theory},
713  author = 	 {Y.~Luo and D.~Jonsson and P.~Norman and K.~Ruud and
714                  O.~Vahtras and B.~Minaev and H.~{\AA}gren and
715                  A.~Rizzo and K.~V.~Mikkelsen},
716  journal = ijqc ,
717  volume = 70 ,
718  year = 1998 ,
719  pages = 219
720}
721
722
723@ARTICLE{arkrthmjjcp109,
724  key = 	 {Electric Field Gradient, generalized Sternheimer
725                  shieldings and Electric Field Gradient
726                  polarizabilities by Multiconfigurational SCF response},
727  author = 	 {A.~Rizzo and K.~Ruud and T.~Helgaker and
728                  M.~Jaszu\'{n}ski},
729  journal =      jcp ,
730  volume =       109 ,
731  year =         1998 ,
732  pages =        2264
733}
734
735@Article{poakrkvmthjpca,
736  author = 	 {P.~-O.~{\AA}strand and K.~Ruud and K.~V.~Mikkelsen
737                  and T.~Helgaker},
738  key = 	 {Atomic charges of the water molecule and the water
739                  dimer},
740  journal = jpca ,
741  volume = 102 ,
742  year = 1998 ,
743  pages = 7686
744}
745
746@Article{bmjvkrovhacpl295,
747  key = 	 {Internuclear Distance Dependence of the Spin-Orbit
748                  Coupling Contributions to Proton NMR Chemical Shifts},
749  author = 	 {B.~Minaev and J.~Vaara and K.~Ruud and O.~Vahtras
750                  and H.~{\AA}gren},
751  journal = cpl ,
752  volume = 295 ,
753  year = 1998 ,
754  pages = 455
755}
756
757
758@Article{scarchkrpjjcp,
759  key = 	 {Coupled Cluster investigation of the Electric Field
760                  Gradient induced birefringence of H2, N2, C2H2 and CH4},
761  author = 	 {S.~Coriani and C.~H\"{a}ttig and  P.~J{\o}rgensen
762                   and A.~Rizzo and K.~Ruud},
763  journal =      jcp ,
764  volume  =      109 ,
765  pages =        7176 ,
766  year =         1998
767}
768
769@Article{jvjlkrthjcp109,
770  key = 	 {Rovibrational effects, temperature dependence and
771                  isotope effects on the nuclear shielding in the
772                  water molecule: A new 17O absolute shielding scale},
773  author = 	 {J.~Vaara and J.~Lounila and K.~Ruud and T.~Helgaker},
774  journal =      jcp ,
775  volume =       109 ,
776  pages =        8388 ,
777  year =         1998
778}
779
780@Article{krjvjlthcpl297,
781  key = 	 {Vibrationally averaged magnetizabilities and
782                  rotational g tensors of the water molecule},
783  author = 	 {K.~Ruud and J.~Vaara and J.~Lounila and T.~Helgaker},
784  year = 	 {1998},
785  journal = 	 cpl ,
786  volume =       297 ,
787  pages =        467
788}
789
790@PhdThesis{krphd,
791  author = 	 {K.~Ruud},
792  title = 	 {Magnetic properties of closed-shell molecules},
793  school = 	 {University of Oslo},
794  year = 	 {1998},
795  address = 	 {Oslo (Norway)},
796}
797
798@ARTICLE{thmjkrcr99,
799        AUTHOR = {T.~Helgaker and M.~Jaszu\'{n}ski and K.~Ruud},
800        key = {Ab Initio Methods for the Calculation of NMR Shielding
801                  Constants and Indirect Spin-Spin Coupling
802                  Constants},
803        year = 1999 ,
804        journal = {Chem.~Rev.},
805        volume = 99 ,
806        pages = 293 }
807
808
809@Article{vbthwkkrmp96,
810  author = 	 {V.~Bakken and T.~Helgaker and W.~Klopper and K.~Ruud},
811  journal = 	 mp,
812  year = 	 {1999},
813  key = 	 {The calculation of molecular geometrical properties
814                  in the Hellmann-Feynman approximation},
815  volume = 	 {96},
816  pages = 	 {653}
817}
818
819@Article{poakrkvmthjcp110,
820	AUTHOR = {{\mbox P.-O}.~{\AA}strand and K.~Ruud and K.~V.~Mikkelsen and
821	          T.~Helgaker},
822	KEY = {Rotational averaging of magnetic properties of the
823	       hydrogen fluoride molecule},
824        journal = jcp ,
825        year = 1999 ,
826        volume = 110,
827        pages = 9463 }
828
829@InCollection{pdkrthprtmaksic,
830  author = 	 {P.~Dahle and K.~Ruud and T.~Helgaker and P.~R.~Taylor},
831  booktitle = 	 {Pauling's legacy - Modern Theory
832                  (Modelling) of Chemical Bonding},
833  key = 	 {Molecular Polarizabilities and Magnetizabilities},
834  pages = 	 {147},
835  publisher = {Elsevier},
836  year = 	 {1999},
837  editor = 	 {Z.~Maksic and W.~J.~Orville--Thomas}
838}
839
840@Article{jvkrovjcc20,
841  author = 	 {J.~Vaara and K.~Ruud and O.~Vahtras},
842  journal = 	 jcc,
843  year = 	 {1999},
844  key = 	 {Correlated Response Calculations of the Spin-Orbit
845                  Interaction Contribution to Nuclear Spin-Spin
846                  Couplings},
847  volume = 	 {20},
848  pages = 	 {1314}
849}
850
851@Article{jvkrovjcp111,
852  author = 	 {J.~Vaara and K.~Ruud and O.~Vahtras},
853  journal = 	 jcp,
854  year = 	 {1999},
855  key = 	 {Second- and third-order spin-orbit contributions to
856                  nuclear shielding tensors},
857  volume = 	 {111},
858  pages = 	 {2900}
859}
860
861@Article{kvmkrthjcc20,
862  author = 	 {K.~V.~Mikkelsen and K.~Ruud and T.~Helgaker},
863  journal = 	 jcc,
864  year = 	 {1999},
865  key = 	 {Solvent Effects on the NMR Parameters of H2S and HCN},
866  volume = 	 {20},
867  pages = 	 {1281}
868}
869
870@Article{krbshacpl310,
871  author = 	 {K.~Ruud and B.~Schimmelpfennig and H.~{\AA}gren},
872  journal = 	 cpl,
873  year = 	 {1999},
874  key = 	 {Internal and external heavy-atom effects on the
875                  phosphoresence radiative lifetimes calculated using
876                  a mean-filed spin-orbit Hamiltonian},
877  volume = 	 {310},
878  pages = 	 {215}
879}
880
881@Article{krprtmjjpca104,
882  author = 	 {K.~Ruud and P.~R.~Taylor and M.~Jaszu\'{n}ski},
883  journal = 	 jpca,
884  year = 	 {2000},
885  key = 	 {Comment on "On the Magnetic Susceptibility of Fluorine"},
886  volume = 	 {104},
887  pages = 	 {168}
888}
889
890@Article{poakrprtjcp112,
891  author = 	 {P.-O.~{\AA}strand and K.~Ruud and P.~R.~Taylor},
892  journal =       jcp,
893  year    =       2000,
894  key =          {Calculation of the vibrational wave function of
895                  polyatomic molecules},
896  volume =        112 ,
897  pages =         {2655}
898}
899
900@Article{krpoaprtjcp112,
901  author = 	 {K.~Ruud and P.-O.~{\AA}strand and P.~R.~Taylor},
902  journal =      jcp ,
903  year =         2000 ,
904  key =          {An efficient approach for calculating vibrational
905                  wave functions and zero-point vibrational
906                  corrections to molecular properites of polyatomic
907                  molecules},
908  volume = 112 ,
909  pages = {2668}
910}
911
912@Article{poakrdstca103,
913  author = 	 {P.-O.~{\AA}strand and K.~Ruud and D.~Sundholm},
914  journal = tca ,
915  year = 2000 ,
916  key = {A modified variation-perturbation approach to zero-point
917         vibrational motion},
918  volume = 103 ,
919  pages = 365
920}
921
922
923@Article{djkrprtcpc128,
924  author = 	 {D.~Jonsson and K.~Ruud and P.~R.~Taylor},
925  journal = 	 {Comp.~Phys.~Comm.},
926  year = 	 {2000},
927  Tkey = 	 {Parallell calculations of molecular properties},
928  volume = 	 {128},
929  pages = 	 {412}
930}
931
932@Article{krdjprtpccp2,
933  author = 	 {K.~Ruud and D.~Jonsson and P.~R.~Taylor},
934  journal = 	 {Phys.~Chem.~Chem.~Phys.},
935  year = 	 {2000},
936  key = 	 {Vibrational effects on electric and magnetic
937                  suscpetibilities: application to the properties of
938                  the water molecule},
939  volume = 	 {2},
940  pages = 	 {2161}
941}
942
943@Article{plpdkckrcpl319,
944  author = 	 {P.~L.~Polavarapu and D.~K.Chakraborty and K.~Ruud},
945  journal = 	 cpl,
946  year = 	 {2000},
947  key = 	 {Molecular optical rotations: an evaluation of semiempirical
948                  models},
949  volume = 	 {319},
950  pages = 	 {595}
951}
952
953@Article{mjkrcpl336,
954  author = 	 {M.~Jaszu\'{n}ski and K.~Ruud},
955  journal = 	 cpl,
956  year = 	 {2001},
957  key = 	 {Spin-spin coupling constants in C2H2},
958  volume = 	 {336},
959  pages = 	 {473}
960}
961
962@Misc{plvvtakjvkrjj,
963  author = 	 {P.~Lantto and V.-V.~Telkki and A.~Kantola and
964                  J.~Vaara and K.~Ruud and J.~Jokisaari},
965  note = 	 {To be published}
966}
967
968@Misc{krpoaprtjacs,
969  key = 	 {Zero-point vibrational corrections to hydrogen
970                  shieldings: Functional-group corrections from {\em
971                  ab initio\/} calculations},
972  author = 	 {K.~Ruud and P.-O.~{\AA}strand and P.~R.~Taylor},
973  note = 	 {\mbox J.~Am.~Chem.~Soc., submitted}
974}
975
976@Misc{krpoaprtjpc,
977  key = 	 {Zero-point vibrational corrections to magnetizabilities},
978  author = 	 {K.~Ruud and P.-O.~{\AA}strand and P.~R.~Taylor},
979  note = 	 {\mbox J.~Phys.~Chem. {\bf A}., to be submitted}
980}
981
982@Article{pmpljvkrjcp119,
983  author = 	 {P.~Manninen and P.~Lantto and J.~Vaara and K.~Ruud},
984  journal = 	 jcp,
985  year = 	 {2003},
986  key = 	 {Perturbational ab initio calculations of relativistic contributions to nuclear magnetic resonance shielding tensors},
987  volume = 	 {119},
988  pages = 	 {2623}
989}
990
991%
992%
993%       Accepted
994%
995%
996%
997%
998%       Submitted
999%
1000%
1001@MISC{krdhsthunpub,
1002	AUTHOR = {K.~Ruud and D.~H.~Sutter and T.~Helgaker},
1003	NOTE = {Unpublished results}}
1004
1005@MISC{mjkr,
1006        AUTHOR = {M.~Jaszu\'{n}ski and K.~Ruud and T.~Helgaker},
1007        NOTE = {Unpublished results}}
1008
1009@Unpublished{cmkrthjv,
1010  author = 	 {C.~Mohn and K.~Ruud and T.~Helgaker and J.~Vaara and
1011                  T.~Saue},
1012  note = 	 {Unpublished results}
1013}
1014
1015@Misc{poakr,
1016  author = 	 {P.-O.~{\AA}strand and K.~Ruud},
1017  note = 	 {to be published},
1018}
1019
1020