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 ¹B₁(σ-π) and 2 ¹A₁(π-π) states

Michal Dallos, Thomas Müller, Hans Lischka, Ron Shepard

Chemistry and Biochemistry

Research output: Contribution to journal › Article › peer-review

39 Scopus citations

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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 1B1(σ-π*) and 2 1A1(π-π*) states

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Chemistry

Physics & Astronomy

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 ¹B₁(σ-π) and 2 ¹A₁(π-π) states