A hybrid configuration interaction treatment based on seniority number and excitation schemes-Reference-Cited by-同舟云学术

A hybrid configuration interaction treatment based on seniority number and excitation schemes

Published:2014-12-28 Issue:24 Volume:141 Page:244118
ISSN:0021-9606
Container-title:The Journal of Chemical Physics
language:en
Short-container-title:The Journal of Chemical Physics

Author:

Alcoba Diego R.¹,Torre Alicia²,Lain Luis²,Oña Ofelia B.³,Capuzzi Pablo¹,Van Raemdonck Mario⁴,Bultinck Patrick⁴,Van Neck Dimitri⁵

Affiliation:

1. Departamento de Física, Facultad de Ciencias Exactas y Naturales, Universidad de Buenos Aires and Instituto de Física de Buenos Aires, Consejo Nacional de Investigaciones Científicas y Técnicas, Ciudad Universitaria, 1428 Buenos Aires, Argentina

2. Departamento de Química Física, Facultad de Ciencia y Tecnología, Universidad del País Vasco, Apdo. 644 E-48080 Bilbao, Spain

3. Instituto de Investigaciones Fisicoquímicas Teóricas y Aplicadas, Universidad Nacional de La Plata, CCT La Plata, Consejo Nacional de Investigaciones Científicas y Técnicas, Diag. 113 y 64 (S/N), Sucursal 4, CC 16, 1900 La Plata, Argentina

4. Department of Inorganic and Physical Chemistry, Ghent University, Krijgslaan 281 (S3), 9000 Gent, Belgium

5. Center for Molecular Modelling, Ghent University, Technologiepark 903, 9052 Zwijnaarde, Belgium

Funder

FWO-MINCyT

Universidad de Buenos Aires

Universidad del Pais Vasco

Consejo Nacional de Investigaciones Científicas y Técnicas (National Scientific and Technical Research Council)

Agencia Nacional de Promoción Científica y Tecnológica (National Agency for Science and Technology, Argentina)

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://aip.scitation.org/doi/pdf/10.1063/1.4904755

Reference28 articles.

1. Seniority and orbital symmetry as tools for establishing a full configuration interaction hierarchy

2. Seniority number in spin-adapted spaces and compactness of configuration interaction wave functions

3. Projected seniority-two orbital optimization of the antisymmetric product of one-reference orbital geminal

4. Configuration interaction wave functions: A seniority number approach

5. The influence of orbital rotation on the energy of closed-shell wavefunctions

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