Polyatomic molecular potential energy surfaces by interpolation in local internal coordinates
Author:
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/pdf/10.1063/1.476259
Reference32 articles.
1. Analytic third derivatives for self‐consistent‐field wave functions
2. 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
3. Analytic energy third derivatives for open-shell self-consistent-field wavefunctions
4. Higher analytic derivatives. IV. Anharmonic effects in the benzene spectrum
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