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Stationary response with exponential transformation: A perturbative analysis for molecular static properties
Author(s) -
Ghose Keya Basu
Publication year - 1995
Publication title -
international journal of quantum chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.484
H-Index - 105
eISSN - 1097-461X
pISSN - 0020-7608
DOI - 10.1002/qua.560530304
Subject(s) - coupled cluster , truncation (statistics) , exponential function , euler's formula , statistical physics , transformation (genetics) , cluster (spacecraft) , stationary point , derivative (finance) , non perturbative , physics , mathematics , point (geometry) , computer science , mathematical physics , mathematical analysis , quantum mechanics , molecule , chemistry , statistics , geometry , biochemistry , financial economics , economics , gene , programming language
We present here a perturbative analysis of the coupled cluster response method for molecular static properties with Euler and extended coupled cluster functionals under cubic truncation. Comparative analysis is meant to cater to both pedagogical and practical interests. Comprehensive tables for energy‐derivative expressions and equations at the stationary point are presented. © 1995 John Wiley & Sons, Inc.