Variational calculations of fermion second-order reduced density matrices be semidefinite programming algorithm

Maho Nakata; Hiroshi Nakatsuji; Masahiro Ehara; Mitsuhiro Fukuda; Kazuhide Nakata; Katsuki Fujisawa

doi:10.1063/1.1360199

Variational calculations of fermion second-order reduced density matrices be semidefinite programming algorithm

Maho Nakata, Hiroshi Nakatsuji, Masahiro Ehara, Mitsuhiro Fukuda, Kazuhide Nakata, Katsuki Fujisawa

Research output: Contribution to journal › Article › peer-review

92 Citations (Scopus)

Abstract

The DMVT was developed systematically by using semidefinite programming algorithm (SDPA) as a problem solver. It was shown that the technique is very stable. Although errors were found, these are permissible in both energy and properties.

Original language	English
Pages (from-to)	8282-8292
Number of pages	11
Journal	Journal of Chemical Physics
Volume	114
Issue number	19
DOIs	https://doi.org/10.1063/1.1360199
Publication status	Published - May 15 2001
Externally published	Yes

All Science Journal Classification (ASJC) codes

Physics and Astronomy(all)
Physical and Theoretical Chemistry

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10.1063/1.1360199

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title = "Variational calculations of fermion second-order reduced density matrices be semidefinite programming algorithm",

abstract = "The DMVT was developed systematically by using semidefinite programming algorithm (SDPA) as a problem solver. It was shown that the technique is very stable. Although errors were found, these are permissible in both energy and properties.",

author = "Maho Nakata and Hiroshi Nakatsuji and Masahiro Ehara and Mitsuhiro Fukuda and Kazuhide Nakata and Katsuki Fujisawa",

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AU - Nakata, Maho

AU - Nakatsuji, Hiroshi

AU - Ehara, Masahiro

AU - Fukuda, Mitsuhiro

AU - Nakata, Kazuhide

AU - Fujisawa, Katsuki

PY - 2001/5/15

Y1 - 2001/5/15

N2 - The DMVT was developed systematically by using semidefinite programming algorithm (SDPA) as a problem solver. It was shown that the technique is very stable. Although errors were found, these are permissible in both energy and properties.

AB - The DMVT was developed systematically by using semidefinite programming algorithm (SDPA) as a problem solver. It was shown that the technique is very stable. Although errors were found, these are permissible in both energy and properties.

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JO - Journal of Chemical Physics

JF - Journal of Chemical Physics

IS - 19

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Variational calculations of fermion second-order reduced density matrices be semidefinite programming algorithm

Abstract

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