Variational reduced density matrix method in the doubly-occupied configuration interaction space using four-particleN-representability conditions: Application to the XXZ model of quantum magnetism-Reference-Cited by-同舟云学术

Variational reduced density matrix method in the doubly-occupied configuration interaction space using four-particleN-representability conditions: Application to the XXZ model of quantum magnetism

Published:2019-10-21 Issue:15 Volume:151 Page:154104
ISSN:0021-9606
Container-title:The Journal of Chemical Physics
language:en
Short-container-title:J. Chem. Phys.

Author:

Rubio-García A.¹^ORCID,Dukelsky J.¹^ORCID,Alcoba D. R.²³^ORCID,Capuzzi P.²³^ORCID,Oña O. B.⁴^ORCID,Ríos E.⁴^ORCID,Torre A.⁵^ORCID,Lain L.⁵^ORCID

Affiliation:

1. Instituto de Estructura de la Materia, CSIC, Serrano 123, 28006 Madrid, Spain

2. Departamento de Física, Facultad de Ciencias Exactas y Naturales, Universidad de Buenos Aires, Ciudad Universitaria, 1428 Buenos Aires, Argentina

3. Instituto de Física de Buenos Aires, Consejo Nacional de Investigaciones Científicas y Técnicas, Ciudad Universitaria, 1428 Buenos Aires, Argentina

4. 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

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

Funder

Spanish Ministerio de Ciencia, Innovación y Universidades and the European Regional Development Fund

Agencia Nacional de Promoción Científica y Tecnológica

Consejo Nacional de Investigaciones Científicas y Técnicas

Secretaría de Ciencia y Técnica, Universidad de Buenos Aires

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://aip.scitation.org/doi/pdf/10.1063/1.5118899

Reference53 articles.

1. A. J. Coleman and V. I. Yukalov,Reduced Density Matrices: Coulson’s Challenge, Lecture Notes in Chemistry (Springer-Verlag, New York, 2000), p. 282.

2. Reduced-Density-Matrix Mechanics: With Application to Many-Electron Atoms and Molecules, Advances in Chemical Physics Vol. 134, edited by D. A. Mazziotti (John Wiley & Sons, Inc., Hoboken, NJ, USA, 2007), pp. 21–59.

3. W. Kohn, inNobel Lectures in Chemistry, edited by I. Grethe (World Scientific, Singapore, 2003), pp. 213–237.

4. Approximatingq-order reduced density matrices in terms of the lower-order ones. II. Applications

5. Direct Determination of the Quantum-Mechanical Density Matrix Using the Density Equation

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