Work

High-level multireference methods in the quantum-chemistry program system COLUMBUS: Analytic MR-CISD and MR-AQCC gradients and MR-AQCC-LRT for excited states, GUGA spin–orbit CI and parallel CI density

Year: 2001

Type: article

Source: Physical Chemistry Chemical Physics

DOI: 10.1039/b008063m

Authors: Hans Lischka, Ron Shepard, Russell M. Pitzer, Isaiah Shavitt, Michal Dallos, Thomas Müller, Pe´ter G. Szalay, Michael Seth, Gary S. Kedziora, Satoshi Yabushita, Zhiyong Zhang

Institutions: University of Vienna, Argonne National Laboratory, The Ohio State University, University of Illinois Urbana-Champaign, Eötvös Loránd University, University of Calgary, Northwestern University, Keio University, Pacific Northwest National Laboratory

Language: English

Topic: Advanced Chemical Physics Studies

Subfield: Atomic and Molecular Physics, and Optics

Field: Physics and Astronomy

Domain: Physical Sciences

Open Access status: closed

Funder: Austrian Science Fund

Awards: Parallel Computing in Quantum Chemistry, Electronically Excited States of Molecules (Elektronisch angeregte Zustände von Molekülen)

OpenAlex ID: W2110152295

FWCI: 9.874

Cites: 43

Cited by: 436

Related to: 10