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EPLF 1.0.5

Company: scemama
Date Added: July 01, 2013  |  Visits: 206

EPLF

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The Electron Pair Localization Function (EPLF) helps to understand chemical bonding in molecular systems. This code uses a modified formulation which allows the exact calculation of the EPLF for usual wave functions (HF,KS,CAS,...)

Requirements: No special requirements
Platforms: *nix, Linux
Keyword: Calculation Exact Formulation Functions Hfkscas Modified Systems Usual
Users rating: 0/10

License: Freeware Size: 317.44 KB
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