Calculation of equilibrium geometries and harmonic frequencies by theLCGTO-MCP-local spin density method-Reference-Cited by-同舟云学术

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Calculation of equilibrium geometries and harmonic frequencies by theLCGTO-MCP-local spin density method

Published:1990-03-17 Issue:S24 Volume:38 Page:29-39
ISSN:0020-7608
Container-title:International Journal of Quantum Chemistry
language:en
Short-container-title:Int. J. Quantum Chem.

Author:

Papai Imre,St-Amant Alain,Ushio Jiro,Salahub Dennis

Publisher

Wiley

Subject

Physical and Theoretical Chemistry,Condensed Matter Physics,Atomic and Molecular Physics, and Optics

Reference37 articles.

1. Derivative studies in configuration–interaction theory

2. Analytical gradient evaluation in coupled-cluster theory

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