Computer Physics Communications Program LibraryPrograms in Physics & Physical Chemistry |

[Licence| Download | New Version Template] aejl_v1_0.tar.gz(1055 Kbytes) | ||
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Manuscript Title: SNEG - Mathematica package for symbolic calculations with second-quantization-operator expressions | ||

Authors: Rok Zitko | ||

Program title: SNEG | ||

Catalogue identifier: AEJL_v1_0Distribution format: tar.gz | ||

Journal reference: Comput. Phys. Commun. 182(2011)2259 | ||

Programming language: Mathematica. | ||

Computer: Any computer which runs Mathematica. | ||

Operating system: Any OS which runs Mathematica. | ||

RAM: Problem dependent | ||

Keywords: Second quantization, Non-commuting operators, Commutators, Wick's theorem, Dirac bra-ket notation. | ||

PACS: 31.15.-p, 07.05.Bx, 03.70.+k, 01.50.H-. | ||

Classification: 2.9, 5, 6.2. | ||

Nature of problem:Manipulation of expressions involving second quantization operators and other non-commuting objects. Calculation of commutators, anticommutators, expectation values. Generation of matrix representations of the Hamiltonians expressed in the second quantization language. | ||

Solution method:Automatic reordering of operator strings in some well specified canonical order; (anti)commutation rules are used where needed. States may be represented in occupation-number representation. Dirac bra-ket notation may be intermixed with non-commuting operator expressions. | ||

Restrictions:For very long operator strings, the brute-force automatic reordering becomes slow, but it can be turned off. In such cases, the expectation values may still be evaluated using Wick's theorem. | ||

Unusual features:SNEG provides the natural notation of second-quantization operators (dagger for creation operators, etc.) when used interactively using the Mathematica notebook interface. | ||

Running time:Problem dependent |

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