BALOO: A Fast and Versatile Code for Accurate Multireference Variational/Perturbative Calculations-Reference-Cited by-同舟云学术

BALOO: A Fast and Versatile Code for Accurate Multireference Variational/Perturbative Calculations

Published:2015-04-08 Issue:5 Volume:11 Page:2024-2035
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Cacelli Ivo¹²,Ferretti Alessandro²,Prampolini Giacomo²,Barone Vincenzo³

Affiliation:

1. Dipartimento di Chimica e Chimica Industriale, Università di Pisa, Via Moruzzi 3, I-56124 Pisa, Pisa, Italy

2. Istituto di Chimica dei Composti OrganoMetallici (ICCOM-CNR), Area della Ricerca, via G. Moruzzi 1, I-56124 Pisa, Pisa, Italy

3. Scuola Normale Superiore, Piazza dei Cavalieri 7, I-56125 Pisa, Pisa, Italy

Funder

European Research Council

Ministero dell'Istruzione, dell'Università e della Ricerca

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/ct501071k

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4. Marques, M. A. L.; Ullrich, C. A.; Nogueira, F.; Rubio, A.; Burke, K.; Gross, E. K. U.Time-Dependent Density Functional Theory;Springer-Verlag: 2006; Vol.706, p555.

5. Generalized Møller—Plesset perturbation theory applied to general MCSCF reference wave functions

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