Dependence of the electrostatic molecular potential upon the basis set and the method of calculation of the wave function. Case of the ground3A1(? ? ?*) and1A1(? ? ?*) states of formaldehyde-Reference-Cited by-同舟云学术

Dependence of the electrostatic molecular potential upon the basis set and the method of calculation of the wave function. Case of the ground3A1(? ? ?*) and1A1(? ? ?*) states of formaldehyde

Published:1978-04 Issue:4 Volume:13 Page:537-552
ISSN:0020-7608
Container-title:International Journal of Quantum Chemistry
language:en
Short-container-title:Int. J. Quantum Chem.

Author:

Daudel R.,Le Rouzo H.,Cimiraglia R.,Tomasi J.

Publisher

Wiley

Subject

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

Reference30 articles.

1. Tests of INDO/1s and INDOXI/1s methods for the calculation of the static potential for electron scattering by CO

2. A comparative study of electrostatic potential maps obtained with different basis sets

3. Nonempirical Calculations on Excited States: The Formaldehyde Molecule

4. Configuration Interaction Studies of Ground and Excited States of Polyatomic Molecules. I. The CI Formulation and Studies of Formaldehyde

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