Geometry optimization of excited valence states of formaldehyde using analytical multireference configuration interaction singles and doubles and multireference averaged quadratic coupled-cluster gradients, and the conical intersection formed by the 1 [sup 1]B[sub 1](σ-π[sup ∗]) and 2 [sup 1]A[sub 1](π-π[sup ∗]) states-Reference-Cited by-同舟云学术

Geometry optimization of excited valence states of formaldehyde using analytical multireference configuration interaction singles and doubles and multireference averaged quadratic coupled-cluster gradients, and the conical intersection formed by the 1 [sup 1]B[sub 1](σ-π[sup ∗]) and 2 [sup 1]A[sub 1](π-π[sup ∗]) states

Published:2001 Issue:2 Volume:114 Page:746
ISSN:0021-9606
Container-title:The Journal of Chemical Physics
language:en
Short-container-title:J. Chem. Phys.

Author:

Dallos Michal,Müller Thomas,Lischka Hans,Shepard Ron

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Reference60 articles.

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

2. Combined SCF and CI Method for the Calculation of Electronically Excited States of Molecules: Potential Curves for the Low‐Lying States of Formaldehyde

3. Ultraviolet spectra and excited states of formaldehyde

4. Ab initio theoretical studies of the Rydberg states of formaldehyde

5. Configuration interaction studies on the S2surface of H2CO: 21A′(σ, π*/π, π*) as perturber of 11B2(n, 3s)

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