Generalization of analytic energy third derivatives for the RHF closed‐shell wave function: Derivative energy and integral formalisms and the prediction of vibration–rotation interaction constants-Reference-Cited by-同舟云学术

Generalization of analytic energy third derivatives for the RHF closed‐shell wave function: Derivative energy and integral formalisms and the prediction of vibration–rotation interaction constants

Published:1986-11 Issue:9 Volume:85 Page:5132-5142
ISSN:0021-9606
Container-title:The Journal of Chemical Physics
language:en
Short-container-title:The Journal of Chemical Physics

Author:

Gaw Jeffrey F.,Yamaguchi Yukio,Schaefer Henry F.,Handy Nicholas C.

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://aip.scitation.org/doi/pdf/10.1063/1.451707

Reference55 articles.

1. Ab initiocalculation of force constants and equilibrium geometries in polyatomic molecules

2. Ab initiocalculation of force constants and equilibrium geometries in polyatomic molecules

3. Ab initiocalculation of force constants and equilibrium geometries in polyatomic molecules

4. Analytic force constants for post‐Hartree–Fock wave functions: The simplest case

5. Analytic force constants for post‐Hartree–Fock wave functions: The simplest case

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