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IV. 2906 Constants of Diatomic Molecules}, 2907 PUBLISHER = {Van Nostrand Reinhold}, 2908 ADDRESS = {New York}, 2909 YEAR = 1979 } 2910 2911@ARTICLE{rcparutfs44, 2912 AUTHOR = {R.~C.~Pink and A.~R.~Ubbelohde}, 2913 JOURNAL = tfs , 2914 VOLUME = 44 , 2915 YEAR = 1948 , 2916 PAGES = 708 } 2917 2918@ARTICLE{whfcr74, 2919 AUTHOR = {W.~H.~Flygare}, 2920 JOURNAL = cr , 2921 VOLUME = 74 , 2922 YEAR = 1974 , 2923 PAGES = 653 } 2924 2925@ARTICLE{jwvhsijqc49, 2926 AUTHOR = {J.~Wang and {V.~H.~Smith Jr.}}, 2927 KEY = {Electron-Pair Distributions and Chemical Bonding}, 2928 JOURNAL = ijqc , 2929 VOLUME = 49 , 2930 YEAR = 1994 , 2931 PAGES = 147 } 2932 2933@ARTICLE{jgjrijqc49, 2934 AUTHOR = {J.~Garza and J.~Robles}, 2935 KEY = {Local Hardness Revisited: Definition and the 2936 Spin-Polarized Kohn-Sham Formulation of Density 2937 Functional Theory}, 2938 JOURNAL = ijqc , 2939 VOLUME = 49 , 2940 YEAR = 1994 , 2941 PAGES = 159 } 2942 2943@ARTICLE{cwijqc49, 2944 AUTHOR = {C.~Wulfman}, 2945 KEY = {On the Space of Eigenvectors of Molecular Quantum 2946 Mechanics}, 2947 JOURNAL = ijqc , 2948 VOLUME = 49 , 2949 YEAR = 1994 , 2950 PAGES = 185 } 2951 2952@ARTICLE{kjmmijqc49, 2953 AUTHOR = {K.~Jug and M.~Matuschewski}, 2954 KEY = {Classification of Substituents by $\sigma$ and $\pi$ 2955 Electron Energy Separation}, 2956 JOURNAL = ijqc , 2957 VOLUME = 49 , 2958 YEAR = 1994 , 2959 PAGES = 197 } 2960 2961@ARTICLE{dswbmgijqc49, 2962 AUTHOR = {D.~S.~Warren and B.~M.~Gimarc}, 2963 KEY = {Maximum Hardness in P6 Isomers}, 2964 JOURNAL = ijqc , 2965 VOLUME = 49 , 2966 YEAR = 1994 , 2967 PAGES = 207 } 2968 2969@ARTICLE{mrxgijqc49, 2970 AUTHOR = {M.~Randi\'{c} and X.~Guo}, 2971 KEY = {Generalized Bond Orders}, 2972 JOURNAL = ijqc , 2973 VOLUME = 49 , 2974 YEAR = 1994 , 2975 PAGES = 215 } 2976 2977@ARTICLE{skgijqc49, 2978 AUTHOR = {S.~K.~Ghosh}, 2979 KEY = {Electronegativity, Hardness, and a Semiempirical 2980 Density Functional Theory of Chemical Bonding}, 2981 JOURNAL = ijqc , 2982 VOLUME = 49 , 2983 YEAR = 1994 , 2984 PAGES = 239 } 2985 2986@ARTICLE{lcaijqc49, 2987 AUTHOR = {L.~C.~Allen}, 2988 KEY = {Chemistry and Electronegativity}, 2989 JOURNAL = ijqc , 2990 VOLUME = 49 , 2991 YEAR = 1994 , 2992 PAGES = 253 } 2993 2994@ARTICLE{hntnijqc49, 2995 AUTHOR = {H.~Nakatsuji and T.~Nakao}, 2996 KEY = {Theoretical Study on Metal NMR Chemical Shifts: 2997 Germanium Compounds}, 2998 JOURNAL = ijqc , 2999 VOLUME = 49 , 3000 YEAR = 1994 , 3001 PAGES = 279 } 3002 3003@ARTICLE{asmflmijqc49, 3004 AUTHOR = {A.~Soirat and M.~Flocco and L.~Massa}, 3005 KEY = {Approximately N-Representable Density Functional 3006 Density Matrices}, 3007 JOURNAL = ijqc , 3008 VOLUME = 49 , 3009 YEAR = 1994 , 3010 PAGES = 291 } 3011 3012@Book{baderbook, 3013 author = {R.~F.~W.~Bader}, 3014 title = {Atoms in Molecules}, 3015 publisher = {Clarendon Press, Oxford}, 3016 year = {1990}, 3017} 3018 3019@InCollection{wkufmsnmr23, 3020 author = {W.~Kutzelnigg and U.~Fleischer and M.~Schindler}, 3021 booktitle = {NMR Basic Principles and Progress}, 3022 publisher = {Springer, Berlin Heidelberg}, 3023 year = {1990}, 3024 volume = {23}, 3025 pages = {165}, 3026} 3027 3028@ARTICLE{rfwbijqc49, 3029 AUTHOR = {R.~F.~W.~Bader}, 3030 KEY = {Why Define Atoms in Real Space?}, 3031 JOURNAL = ijqc , 3032 VOLUME = 49 , 3033 YEAR = 1994 , 3034 PAGES = 299 } 3035 3036@ARTICLE{jkzzijqc49, 3037 AUTHOR = {J.~Kneisler and Z.~Zhou}, 3038 KEY = {Substituent Effects on Chemical Hardness}, 3039 JOURNAL = ijqc , 3040 VOLUME = 49 , 3041 YEAR = 1994 , 3042 PAGES = 309 } 3043 3044@ARTICLE{nhmijqc49, 3045 AUTHOR = {N.~H.~March}, 3046 KEY = {Building Blocks for Electron Density in Free Molecules 3047 and in Condensed Matter Phases}, 3048 JOURNAL = ijqc , 3049 VOLUME = 49 , 3050 YEAR = 1994 , 3051 PAGES = 321 } 3052 3053@ARTICLE{japrtjcp86, 3054 AUTHOR = {J.~Alml\"{o}f and P.~R.~Taylor}, 3055 JOURNAL = jcp , 3056 VOLUME = 86 , 3057 YEAR = 1987 , 3058 PAGES = 4070 } 3059 3060@ARTICLE{mdhvwlrlkrhsdarfjlwjlagmjpcrd8, 3061 AUTHOR = {M.~D.~Harmony and V.~W.~Laurie and R.~L.~Kuczkowski and 3062 R.~H.~Schwendeman and D.~A.~Ramsey and F.~J.~Lovas and 3063 W.~J.~Lafferty and A.~G.~Maki}, 3064 JOURNAL = {J.~Phys.~Chem.~Ref.~Data}, 3065 VOLUME = 8 , 3066 YEAR = 1979 , 3067 PAGES = 619 } 3068 3069@ARTICLE{aljkvrscp80, 3070 AUTHOR = {A.~Laaksonen and J.~Kowalewski and V.~R.~Saunders}, 3071 JOURNAL = cp , 3072 VOLUME = 80 , 3073 YEAR = 1983 , 3074 PAGES = 221 } 3075 3076@ARTICLE{vgjcp82, 3077 AUTHOR = {V.~Galasso}, 3078 JOURNAL = jcp , 3079 VOLUME = 82 , 3080 YEAR = 1985 , 3081 PAGES = 899 } 3082 3083@ARTICLE{mfgvrsreomp35, 3084 AUTHOR = {M.~F.~Guest and V.~R.~Saunders and R.~E.~Overill}, 3085 JOURNAL = mp , 3086 VOLUME = 35 , 3087 YEAR = 1978 , 3088 PAGES = 427 } 3089 3090@ARTICLE{eashsrjbjcp87, 3091 AUTHOR = {E.~A.~Salter and H.~Sekino and R.~J.~Bartlett}, 3092 JOURNAL = jcp , 3093 VOLUME = 87 , 3094 YEAR = 1987 , 3095 PAGES = 502 } 3096 3097@ARTICLE{hsrjbjcp85, 3098 AUTHOR = {H.~Sekino and R.~J.~Bartlett}, 3099 JOURNAL = jcp , 3100 VOLUME = 85 , 3101 YEAR = 1986 , 3102 PAGES = 3945 } 3103 3104@ARTICLE{jgjocp104, 3105 AUTHOR = {J.~Geertsen and J.~Oddershede}, 3106 JOURNAL = cp , 3107 VOLUME = 104 , 3108 YEAR = 1986 , 3109 PAGES = 67 } 3110 3111@ARTICLE{gescpl127, 3112 AUTHOR = {G.~E.~Scuseria}, 3113 JOURNAL = cpl , 3114 VOLUME = 127 , 3115 YEAR = 1986 , 3116 PAGES = 236 } 3117 3118@Article{mcesjcp106, 3119 author = {M.~Challacombe and E.~Schwegler}, 3120 journal = jcp, 3121 year = {1997}, 3122 key = {Linear scaling computation of the Fock matrix}, 3123 volume = {106}, 3124 pages = {5526} 3125} 3126 3127@Article{jmmgesjcp106, 3128 author = {J.~M.~Millam and G.~E.~Scuseria}, 3129 journal = jcp, 3130 year = {1997}, 3131 key = {Linear scaling conjugate gradient density matrix 3132 search as an alternative to diagonalization for 3133 first principles electronic structure calculations}, 3134 volume = {106}, 3135 pages = {5569} 3136} 3137 3138@Proceedings{legion, 3139 title = {Legion---A View from 50,000 Feet}, 3140 year = {1996}, 3141 volume = {Proceedings of the Fifth IEEE International 3142 Symposium on High Performance Distributed Computing}, 3143 address = {Los Alamitos, California}, 3144 month = {August}, 3145 publisher = {IEEE Computer Society Press}, 3146} 3147 3148@ARTICLE{gesjgjojcp90, 3149 AUTHOR = {G.~E.~Scuseria and J.~Geertsen and J.~Oddershede}, 3150 JOURNAL = JCP , 3151 VOLUME = 90 , 3152 YEAR = 1989 , 3153 PAGES = 2338 } 3154 3155@MISC{ktpc, 3156 AUTHOR = {K.~Kamie\'{n}ska-Trela}, 3157 NOTE = {Personal communication} } 3158 3159@ARTICLE{gghpr43, 3160 AUTHOR = {G.~G.~Havens}, 3161 JOURNAL = {Phys.~Rev.}, 3162 VOLUME = 43 , 3163 YEAR = 1933 , 3164 PAGES = 992 } 3165 3166@ARTICLE{kemzp98, 3167 AUTHOR = {K.~E.~Mann}, 3168 JOURNAL = {Z.~Physik}, 3169 VOLUME = 98 , 3170 YEAR = 1935 , 3171 PAGES = 548 } 3172 3173@ARTICLE{lacr208, 3174 AUTHOR = {L.~Abonnenc}, 3175 JOURNAL = {Compt.~Rend.}, 3176 VOLUME = 208 , 3177 YEAR = 1939 , 3178 PAGES = 986 } 3179 3180@ARTICLE{regjpc65, 3181 AUTHOR = {R.~E.~Glick}, 3182 KEY = {On the diamagnetic susceptibility of gases}, 3183 JOURNAL = jpc , 3184 VOLUME = 65 , 3185 YEAR = 1961 , 3186 PAGES = 1552 } 3187 3188@ARTICLE{ailvrscpl95, 3189 AUTHOR = {A.~I.~Laaksonen and V.~R.~Saunders}, 3190 JOURNAL = cpl , 3191 VOLUME = 95 , 3192 YEAR = 1983 , 3193 PAGES = 375 } 3194 3195@MISC{lborn, 3196 NOTE = {Landolt-B\"ornstein; Springer Verlag: NY, 1962, Auflage Zahlenwerte und Funktionen, II band, Vol. 8, p.5-827.}} 3197 3198@ARTICLE{mahcrsasp190, 3199 AUTHOR = {M.~A.~Haque}, 3200 JOURNAL = {C.~R.~S\'{e}ances Acad.~Sci.~Paris}, 3201 VOLUME = 190 , 3202 YEAR = 1930 , 3203 PAGES = 789 } 3204 3205@MISC{handbook, 3206 NOTE = {{\it Handbook of Chemistry and Physics}, 64th ed. 3207 (CRC, Boca Raton, 1984).} } 3208 3209@ARTICLE{sgkjcp50, 3210 AUTHOR = {S.~G.~Kukolich}, 3211 JOURNAL = jcp , 3212 VOLUME = 50 , 3213 YEAR = 1969 , 3214 PAGES = 3751 } 3215 3216@ARTICLE{sgkcpl12, 3217 AUTHOR = {S.~G.~Kukolich}, 3218 JOURNAL = cpl , 3219 VOLUME = 12 , 3220 YEAR = 1971 , 3221 PAGES = 216 } 3222 3223@ARTICLE{sgkwhfcpl7, 3224 AUTHOR = {S.~G.~Kukolich and W.~H.~Flygare}, 3225 JOURNAL = cpl , 3226 VOLUME = 7 , 3227 YEAR = 1970 , 3228 PAGES = 43 } 3229 3230@Article{wgpfcypr77, 3231 author = {W.~G.~Proctor and F.~C.~Yu}, 3232 journal = pr, 3233 year = {1950}, 3234 volume = {77}, 3235 pages = {717} 3236} 3237 3238@Article{wcdpr77, 3239 author = {W.~C.~Dickinson}, 3240 journal = pr, 3241 year = {1950}, 3242 volume = {77}, 3243 pages = {736} 3244} 3245 3246@ARTICLE{wtrnmr7, 3247 AUTHOR = {W.~T.~Raynes}, 3248 JOURNAL = {Spec.~Per.~Reps.~NMR}, 3249 VOLUME = 7 , 3250 YEAR = 1978 , 3251 PAGES = 1 } 3252 3253@ARTICLE{sgkjacs97, 3254 AUTHOR = {S.~G.~Kukolich}, 3255 JOURNAL = jacs , 3256 VOLUME = 97 , 3257 YEAR = 1975 , 3258 PAGES = 5704 } 3259 3260@ARTICLE{cjjacddakjcpl167, 3261 AUTHOR = {C.~J.~Jameson and A.~C.~de Dios and A.~K.~Jameson}, 3262 JOURNAL = cpl , 3263 VOLUME = 167 , 3264 YEAR = 1990 , 3265 PAGES = 575 } 3266 3267@ARTICLE{kwzrtcdmgjmjacs102, 3268 AUTHOR = {K.~W.~Zilm and R.~T.~Colin and D.~M.~Grant and J.~Michl}, 3269 JOURNAL = jacs , 3270 VOLUME = 102 , 3271 YEAR = 1980 , 3272 PAGES = 6672 } 3273 3274@ARTICLE{smmp25, 3275 AUTHOR = {S.~Mohanty}, 3276 JOURNAL = mp , 3277 VOLUME = 25 , 3278 YEAR = 1973 , 3279 PAGES = 1173 } 3280 3281@ARTICLE{pbdrmnscwwkjcp55, 3282 AUTHOR = {P.~B.~Davies and R.~M.~Neumann and S.~C.~Wofsy and 3283 W.~Klemperer}, 3284 JOURNAL = jcp , 3285 VOLUME = 55 , 3286 YEAR = 1971 , 3287 PAGES = 3564 } 3288 3289@ARTICLE{tdbaehcpl175, 3290 AUTHOR = {T.~D.~Bouman and Aa.~E.~Hansen}, 3291 JOURNAL = cpl , 3292 VOLUME = 175 , 3293 YEAR = 1990 , 3294 PAGES = 292 } 3295 3296@ARTICLE{kwajsgkmp72, 3297 AUTHOR = {K.~Woli\'{n}ski and A.~J.~Sadlej and G.~Karlstr\"{o}m}, 3298 KEY = {Molecular quadrupole moments}, 3299 JOURNAL = mp , 3300 VOLUME = 72 , 3301 YEAR = 1991 , 3302 PAGES = 425 } 3303 3304@ARTICLE{polaqc5, 3305 AUTHOR = {P.~-O.~L\"{o}wdin}, 3306 YEAR = 1970, 3307 JOURNAL = {Adv.~Quantum Chem.}, 3308 VOLUME = 5 , 3309 PAGES = {}} 3310 3311@MISC{persref, 3312 AUTHOR = {K.~Ruud and M.~Jaszu\'{n}ski and A.~Rizzo}, 3313 NOTE = {personal communication}} 3314 3315@ARTICLE{hsijqc30, 3316 AUTHOR = {H.~Sellers}, 3317 JOURNAL = ijqc , 3318 VOLUME = 30 , 3319 YEAR = 1986 , 3320 PAGES = 433 } 3321 3322@ARTICLE{hjajhacpl110, 3323 AUTHOR = {H.~J.~Aa.~Jensen and H.~{\AA}gren}, 3324 JOURNAL = cpl , 3325 VOLUME = 110 , 3326 YEAR = 1984 , 3327 PAGES = 140 } 3328 3329@ARTICLE{wjhrdjapjcp56, 3330 AUTHOR = {W.~J.~Hehre and R.~Ditchfield and J.~A.~Pople}, 3331 JOURNAL = jcp , 3332 VOLUME = 56 , 3333 YEAR = 1972 , 3334 PAGES = 2257 } 3335 3336@ARTICLE{pchjaptca28, 3337 AUTHOR = {P.~C.~Hariharan and J.~A.~Pople}, 3338 JOURNAL = tca , 3339 VOLUME = 28 , 3340 YEAR = 1973 , 3341 PAGES = 213 } 3342 3343@ARTICLE{msgcpl76, 3344 AUTHOR = {M.~S.~Gordon}, 3345 JOURNAL = CPL , 3346 VOLUME = 76 , 3347 YEAR = 1980 , 3348 PAGES = 163 } 3349 3350@ARTICLE{thdjcp53, 3351 AUTHOR = {T.~H.~Dunning}, 3352 JOURNAL = jcp , 3353 VOLUME = 53 , 3354 YEAR = 1970 , 3355 PAGES = 2823 } 3356 3357@ARTICLE{thdjcp55-2, 3358 AUTHOR = {T.~H.~{\mbox Dunning Jr.}}, 3359 JOURNAL = jcp , 3360 VOLUME = 55 , 3361 YEAR = 1971 , 3362 PAGES = 3958 } 3363 3364@ARTICLE{thdjcp55, 3365 AUTHOR = {T.~H.~Dunning}, 3366 JOURNAL = jcp , 3367 VOLUME = 55 , 3368 YEAR = 1971 , 3369 PAGES = 716 } 3370 3371@ARTICLE{pjskjjrdaplrzjpc94, 3372 AUTHOR = {P.~J.~Stephens and K.~J.~Jalkanen and R.~D.~Amos and 3373 P.~Lazzeretti and R.~Zanasi}, 3374 JOURNAL = jpc , 3375 VOLUME = 94 , 3376 YEAR = 1990 , 3377 PAGES = 1811 } 3378 3379@Article{plpnmrs36, 3380 author = {P.~Lazzeretti}, 3381 journal = {Prog.~NMR.~Spectrosc.}, 3382 year = {2000}, 3383 key = {Ring Currents}, 3384 volume = {36}, 3385 pages = {1} 3386} 3387 3388@ARTICLE{ldbjvmp48, 3389 AUTHOR = {L.~D.~Barron and J.~Vrbancich}, 3390 JOURNAL = mp , 3391 VOLUME = 48 , 3392 YEAR = 1983 , 3393 PAGES = 833 } 3394 3395@ARTICLE{jgimmjcp49, 3396 AUTHOR = {J.~Gerratt and I.~M.~Mills}, 3397 JOURNAL = jcp , 3398 VOLUME = 49 , 3399 YEAR = 1968 , 3400 PAGES = 1719 } 3401 3402@ARTICLE{ppjcp78, 3403 AUTHOR = {P.~Pulay}, 3404 JOURNAL = jcp , 3405 VOLUME = 78 , 3406 YEAR = 1983 , 3407 PAGES = 5043 } 3408 3409@ARTICLE{admgscjcp72, 3410 AUTHOR = {A.~D.~McLean and G.~S.~Chandler}, 3411 JOURNAL = jcp , 3412 VOLUME = 72 , 3413 YEAR = 1980 , 3414 PAGES = 5639 } 3415 3416@ARTICLE{tcjcgwsprsjcc4, 3417 AUTHOR = {T.~Clark and J.~Chandrasekhar and G.~W.~Spitznagel and 3418 P.~v.~R.~Schleyer}, 3419 JOURNAL = jcc , 3420 VOLUME = 4 , 3421 YEAR = 1983 , 3422 PAGES = 294 } 3423 3424@ARTICLE{dmtajcp73, 3425 AUTHOR = {D.~Matsuoka and T.~Aoyama}, 3426 JOURNAL = jcp , 3427 YEAR = 1980 , 3428 VOLUME = 73 , 3429 PAGES = 5718 } 3430 3431@ARTICLE{wjhrfsjapjcp51, 3432 AUTHOR = {W.~J.~Hehre and R.~F.~Stewart and J.~A.~Pople}, 3433 JOURNAL = jcp , 3434 VOLUME = 51 , 3435 YEAR = 1969 , 3436 PAGES = 2657 } 3437 3438@ARTICLE{jbcpvrsjsbjapjcp64, 3439 AUTHOR = {J.~B.~Collins and P.~v.~R.~Schleyer and J.~S.~Binkley and 3440 J.~A.~Pople}, 3441 JOURNAL = jcp , 3442 VOLUME = 64 , 3443 YEAR = 1976 , 3444 PAGES = 5142 } 3445 3446@ARTICLE{jsbjapwjhjacs102, 3447 AUTHOR = {J.~S.~Binkley and J.~A.~Pople and W.~J.~Hehre}, 3448 JOURNAL = jacs , 3449 VOLUME = 102 , 3450 YEAR = 1980 , 3451 PAGES = 939 } 3452 3453@ARTICLE{wjpmmfwjhdjdjapjsbjacs104, 3454 AUTHOR = {W.~J.~Pietro and M.~M.~Francl and W.~J.~Hehre and 3455 D.~J.~Defrees and J.~A.~Pople and J.~S.~Binkley}, 3456 JOURNAL = jacs , 3457 VOLUME = 104 , 3458 YEAR = 1982 , 3459 PAGES = 5039 } 3460 3461@ARTICLE{poagkaebnjcp102, 3462 AUTHOR = {{\mbox P.-O}.~{\AA}strand and G.~Karlstr\"{o}m and A.~Engdahl 3463 and B.~Nelander}, 3464 JOURNAL = jcp , 3465 VOLUME = 102 , 3466 YEAR = 1995 , 3467 PAGES = 3534 } 3468 3469@ARTICLE{jrwtrmp41, 3470 AUTHOR = {J.~Rychlewski and W.~T.~Raynes}, 3471 JOURNAL = mp , 3472 YEAR = 1980 , 3473 PAGES = 843 , 3474 VOLUME = 41 } 3475 3476@MISC{kvmthhjaj, 3477 AUTHOR = {K.~V.~Mikkelsen and T.~Helgaker and H.~J.~Aa.~Jensen}, 3478 NOTE = {In preparation}} 3479 3480@MANUAL{daltonref, 3481 AUTHOR = "T.~Helgaker and H.~J.~Aa.~Jensen and P.~J{\o}rgensen 3482 and J.~Olsen and K.~Ruud and H.~{\AA}gren and T.~Andersen and K.~L.~Bak 3483 and V.~Bakken and O.~Christiansen and P.~Dahle and 3484 E.~K.~Dalskov and T.~Enevoldsen and B.~Fernandez and 3485 H.~Heiberg and H.~Hettema 3486 and D.~Jonsson and S.~Kirpekar and R.~Kobayashi and H.~Koch and 3487 K.~V.~Mikkelsen and P.~Norman and M.~J.~Packer and T.~Saue and 3488 P.~R.~Taylor and O.~Vahtras", 3489 TITLE = "Dalton, an ab initio electronic structure program, 3490 Release 1.0 (1997). See 3491 http://www.kjemi.uio.no/software/dalton/dalton.html"} 3492 3493@ARTICLE{rtrmhjcp44, 3494 AUTHOR = {R.~Tipping and R.~M.~Herman}, 3495 JOURNAL = jcp , 3496 VOLUME = 44 , 3497 YEAR = 1966 , 3498 PAGES = 3112 } 3499 3500@ARTICLE{apwlghpr23, 3501 AUTHOR = {A.~P.~Willis and L.~G.~Hector}, 3502 JOURNAL = {Phys.~Rev.}, 3503 VOLUME = 23 , 3504 YEAR = 1924 , 3505 PAGES = 209 } 3506 3507@ARTICLE{jrtsvmjcp58, 3508 AUTHOR = {J.~Rose and T.~Shibuya and V.~McKoy}, 3509 JOURNAL = jcp , 3510 VOLUME = 58 , 3511 YEAR = 1973 , 3512 PAGES = 74 } 3513 3514@ARTICLE{tsjrvmjcp58, 3515 AUTHOR = {T.~Shibuya and J.~Rose and V.~McKoy}, 3516 JOURNAL = jcp , 3517 VOLUME = 58 , 3518 YEAR = 1973 , 3519 PAGES = 500 } 3520 3521@MISC{mjpekdtehjajjojcp, 3522 AUTHOR = {M.~J.~Packer and E.~K.~Dalskov and T.~Enevoldsen and 3523 H.~J.~Aa.~Jensen and J.~Oddershede}, 3524 NOTE = {J.~Chem.~Phys., submitted}} 3525 3526@ARTICLE{crardmbirpc16, 3527 AUTHOR = {C.~Rizzo and A.~Rizzo and D.~M.~Bishop}, 3528 KEY = {The Cotton-Mouton effect in gases: experiment and 3529 theory}, 3530 JOURNAL = {Int.~Rev.~Phys.~Chem.}, 3531 PAGES = 81 , 3532 YEAR = 1997 , 3533 VOLUME = 16 } 3534 3535@ARTICLE{moleculeref, 3536 AUTHOR = {J.~Alml\"{o}f}, 3537 NOTE = {A vectorized Gaussian integral program} } 3538 3539@ARTICLE{kfacr14, 3540 AUTHOR = {K.~Fukui}, 3541 JOURNAL = {Acc.~Chem.~Res.}, 3542 VOLUME = 14 , 3543 YEAR = 1981 , 3544 PAGES = 363 } 3545 3546@Article{jgbbpc99, 3547 author = {J.~Gauss}, 3548 journal = {Ber.~Bunsenges.~Phys.~Chem}, 3549 year = {1995}, 3550 volume = {99}, 3551 pages = {1001} 3552} 3553 3554@ARTICLE{pmjwmjcp88, 3555 AUTHOR = {M.~Page and J.~W.~{\mbox McIver Jr.}}, 3556 JOURNAL = jcp , 3557 VOLUME = 88 , 3558 YEAR = 1988 , 3559 PAGES = 922 } 3560 3561@ARTICLE{jlrdrcp18, 3562 AUTHOR = {J.~-L.~Rivail and D.~Rinaldi}, 3563 JOURNAL = cp , 3564 VOLUME = 18 , 3565 YEAR = 1976 , 3566 PAGES = 233 } 3567 3568@ARTICLE{gfxfzpwtppjacs114, 3569 AUTHOR = {G.~Fogarasi and X.~F.~Zhou and P.~W.~Taylor and P.~Pulay}, 3570 JOURNAL = jacs , 3571 VOLUME = 114 , 3572 YEAR = 1992 , 3573 PAGES = 8191 } 3574 3575@InCollection{rjbmest, 3576 author = {R.~J.~Bartlett}, 3577 booktitle = {Modern Electronic Structure Theory}, 3578 publisher = {World Scientific}, 3579 year = {1995}, 3580 editor = {D.~R.~Yarkony}, 3581 pages = {1047} 3582} 3583 3584@InCollection{ppmest, 3585 author = {P.~Pulay}, 3586 booktitle = {Modern Electronic Structure Theory}, 3587 publisher = {World Scientific}, 3588 year = {1995}, 3589 editor = {D.~R.~Yarkony}, 3590 pages = {1191} 3591} 3592 3593@InCollection{cwbsrlhpmest, 3594 author = {C.~W.~{\mbox Bauschlicher Jr.} and S.~R.~Langhoff 3595 and H.~Partridge}, 3596 booktitle = {Modern Electronic Structure Theory}, 3597 publisher = {World Scientific}, 3598 year = {1995}, 3599 editor = {D.~R.~Yarkony}, 3600 pages = {1280} 3601} 3602 @Article{yslsakrjbjcp81, 3603 author = {Y.~S.~Lee and S.~A.~Kucharski and R.~J.~Bartlett}, 3604 journal = jcp, 3605 year = {1984}, 3606 volume = {81}, 3607 pages = {5906} 3608} 3609 3610@Article{sakrjbaqc18, 3611 author = {S.~A.~Kucharski and R.~J.~Bartlett}, 3612 journal = {Adv.~Quantum Chem.}, 3613 year = {1986}, 3614 volume = {18}, 3615 pages = {281} 3616} 3617 3618@Article{pgsjgjcp107, 3619 author = {P.~G.~Szalay and J.~Gauss}, 3620 journal = jcp, 3621 year = {1997}, 3622 volume = {107}, 3623 pages = {9028}, 3624} 3625 3626@Book{raccrjb, 3627 editor = {R.~J.~Bartlett}, 3628 title = {Recent advances in coupled-cluster theory}, 3629 publisher = {World Scientific}, 3630 year = {1997}, 3631 volume = {3}, 3632 series = {Recent Advances in Computational Chemistry}, 3633} 3634 3635@InCollection{hbsmest, 3636 author = {H.~B.~Schlegel}, 3637 booktitle = {Modern Electronic Structure Theory}, 3638 publisher = {World Scientific}, 3639 year = {1995}, 3640 editor = {D.~R.~Yarkony}, 3641 pages = {459} 3642} 3643 3644@InCollection{jopjmest, 3645 author = {J.~Olsen and P.~J{\o}rgensen}, 3646 booktitle = {Modern Electronic Structure Theory}, 3647 key = {Time-dependent response theory with applications to 3648 self-consistent field and multiconfigurational 3649 self-consistent field wave functions}, 3650 publisher = {World Scientific}, 3651 address = {New York}, 3652 year = {1995}, 3653 editor = {D.~R.~Yarkony}, 3654 pages = {857} 3655} 3656 3657@InBook{ppaest4, 3658 author = {P.~Pulay}, 3659 editor = {H.~F.~{\mbox Schaefer III}}, 3660 title = {Applications of Electronic Structure Theory}, 3661 publisher = {Plenum Press}, 3662 year = {1977}, 3663 volume = {4}, 3664 series = {Modern Theoretical Chemistry}, 3665 address = {New York}, 3666 pages = {153} 3667} 3668 3669@MISC{vbth, 3670 AUTHOR = {V.~Bakken and T.~Helgaker}, 3671 NOTE = {To be published} } 3672 3673@Article{chtgcdrlwrfsdfs19, 3674 author = {C.~H.~Townes and G.~C.~Dousmanis and R.~L.~White and 3675 R.~F.~Schwarz}, 3676 journal = {Discuss.~Faraday Soc.}, 3677 year = {1955}, 3678 volume = {19}, 3679 pages = {56} 3680} 3681 3682@Unpublished{amfiref, 3683 author = 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{J.~Mol.~Spectrosc.}, 3723 year = {1997}, 3724 volume = {186}, 3725 pages = {131} 3726} 3727 3728@Misc{djpnhaarscpc, 3729 author = {D.~Jonsson and P.~Norman and H.~{\AA}gren and A.~Rizzo 3730 and S.~Coriani}, 3731 note = {Personal communication} 3732} 3733 3734@Article{bkbcirpc16, 3735 author = {B.~Kirtman and B.~Champagne}, 3736 journal = {Int.~Rev.~Phys.~Chem.}, 3737 year = {1997}, 3738 volume = {16}, 3739 pages = {389} 3740} 3741