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Program LMTART for electronic structure calculations

✍ Scribed by Savrasov, Sergej Y.

Book ID
120496909
Publisher
Oldenbourg Wissenschaftsverlag
Year
2005
Tongue
English
Weight
86 KB
Volume
220
Category
Article
ISSN
2194-4946

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✦ Synopsis

Abstract

A computer program LMTART for electronic structure calculations using full potential linear muffin-tin orbital method is described.

πŸ“œ SIMILAR VOLUMES

Electronic structure calculations for
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The basic structure of the program system TURBOMOLE for SCF - including first and second analytical derivatives with respect to nuclear coordinates - and MP2 calculations is briefly described. The program takes full advantage of all discrete point group symmetries and has only modest - and (partiall