Searched defs:SOPPA (Results 1 – 2 of 2) sorted by relevance
578 \subsection{Calculation of Atomic Axial Tensors (AATs):750 \subsection{Dipole moment and dipole gradient contributions:919 \subsection{One-electron expectation values:1049 \subsection{Geometry analysis: \Sec{GEOANA}}1453 \subsection{Nuclear contributions: \Sec{NUCREP}}1476 \subsection{One-electron integrals: \Sec{ONEINT}}1663 \Sec{SOPPA}}\label{sec:soppa} argument1767 \subsection{Indirect nuclear spin-spin couplings:1917 \subsection{Translational and rotational invariance:2038 \subsection{Two-electron contributions: \Sec{TWOEXP}}[all …]
21 \subsection*{A1: FChk2HES}71 \subsection*{A2: labread}94 \subsection*{A3: ODCPRG}228 \subsection*{A4: xyz2dalton, distances, and aces2dalton}