ISSN:
0020-7608
Keywords:
Computational Chemistry and Molecular Modeling
;
Atomic, Molecular and Optical Physics
Source:
Wiley InterScience Backfile Collection 1832-2000
Topics:
Chemistry and Pharmacology
Notes:
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.
Additional Material:
1 Ill.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1002/qua.560070308