Open AccessDLPNO-MP2 second derivatives for the computation of polarizabilities and NMR shieldings
Author(s) -
Georgi L. Stoychev,
Alexander A. Auer,
Jürgen Gauß,
Frank Neese
Publication year - 2021
Publication title -
the journal of chemical physics
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.071
H-Index - 357
eISSN - 1089-7690
pISSN - 0021-9606
DOI - 10.1063/5.0047125
Subject(s) - perturbation theory (quantum mechanics) , atomic orbital , electronic correlation , dipole , truncation (statistics) , linear scale , computation , electron , physics , atomic physics , quantum mechanics , mathematics , geodesy , geography , statistics , algorithm
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