Columbus—a program system for advanced multireference theory calculations-Reference-Cited by-同舟云学术

Columbus—a program system for advanced multireference theory calculations

Published:2011-01-21 Issue:2 Volume:1 Page:191-199
ISSN:1759-0876
Container-title:WIREs Computational Molecular Science
language:en
Short-container-title:WIREs Comput Mol Sci

Author:

Lischka Hans¹,Müller Thomas²,Szalay Péter G.³,Shavitt Isaiah⁴,Pitzer Russell M.⁵,Shepard Ron⁶

Affiliation:

1. Institute for Theoretical Chemistry, University of Vienna, Vienna, Austria

2. Institute of Advanced Simulation, Jülich Supercomputer Centre, Jülich, Germany

3. Laboratory for Theoretical Chemistry, Institute of Chemistry, Eötvös Loránd University, Budapest, Hungary

4. Department of Chemistry, University of Illinois, Urbana, IL, USA

5. Department of Chemistry, The Ohio State University, Columbus, OH, USA

6. Chemical Sciences and Engineering Division, Argonne National Laboratory, Argonne, IL, USA

Publisher

Wiley

Subject

Materials Chemistry,Computational Mathematics,Physical and Theoretical Chemistry,Computer Science Applications,Biochemistry

Link

https://onlinelibrary.wiley.com/doi/pdf/10.1002/wcms.25

Reference37 articles.

1. LischkaH ShepardR ShavittI PitzerRM DallosM MüllerTh SzalayPG BrownFB AhlrichsR BoehmHJ.COLUMBUS: an ab initio electronic structure program system. Available at:http://www.univie.ac.at/columbus/

2. New implementation of the graphical unitary‐group approach for multi‐reference direct configuration‐interaction calculations;Lischka H;Int J Quantum Chem,1981

3. 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

4. The Graphical Unitary Group Approach and Its Application to Direct Configuration Interaction Calculations

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