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A study of the AMO method as applied to the lithium metal. II. The first‐order density matrix and the shape of the fermi surface
Author(s) -
Sperber Gunnar,
Calais JeanLouis
Publication year - 1973
Publication title -
international journal of quantum chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.484
H-Index - 105
eISSN - 1097-461X
pISSN - 0020-7608
DOI - 10.1002/qua.560070308
Subject(s) - lithium (medication) , matrix (chemical analysis) , fermi surface , atomic orbital , surface (topology) , density matrix , metal , order (exchange) , fermi gamma ray space telescope , condensed matter physics , computational chemistry , physics , chemistry , quantum mechanics , mathematics , geometry , electron , quantum , medicine , superconductivity , finance , economics , endocrinology , organic chemistry , chromatography
Alternant molecular orbitals for the lithium metal are constructed in different ways. The corresponding first‐order density matrix is calculated for different shapes of the Fermi surface. Numerical methods to calculate the first‐order density matrix are described.