Lines Matching defs:SOPPA

12 This module controls the main features of the HF, SOPPA, and MCSCF property calculations,  argument
578 \subsection{Calculation of Atomic Axial Tensors (AATs):
638 \subsection{Freguency-dependent linear response calculations: \Sec{ABALNR}}\label{sec:abalnr}
750 \subsection{Dipole moment and dipole gradient contributions:
789 \subsection{Calculation of excitation energies: \Sec{EXCITA}}
919 \subsection{One-electron expectation values:
1049 \subsection{Geometry analysis: \Sec{GEOANA}}
1095 \subsection{Right-hand sides for geometry response equations: \Sec{RHSIDE}}
1301 \subsection{Linear response for static singlet property operators:
1370 \subsection{Localization of molecular orbitals: \Sec{LOCALI}}\label{sec:locali}
1453 \subsection{Nuclear contributions: \Sec{NUCREP}}
1476 \subsection{One-electron integrals: \Sec{ONEINT}}
1514 \subsection{Relaxation contribution to geometric Hessian: \Sec{RELAX}}
1548 \subsection{Reorthonormalization contributions to geometric Hessian: \Sec{REORT}}
1571 \subsection{Response calculations for geometric Hessian: \Sec{RESPON}}
1663 \Sec{SOPPA}}\label{sec:soppa}  argument
1767 \subsection{Indirect nuclear spin-spin couplings:
1917 \subsection{Translational and rotational invariance:
1953 \subsection{Linear response for static triplet property operators:
2038 \subsection{Two-electron contributions: \Sec{TWOEXP}}
2139 \subsection{Vibrational analysis: \Sec{VIBANA}}