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Volumn 33, Issue 8, 2012, Pages 822-831

Evaluation of the electron momentum density of crystalline systems from ab initio linear combination of atomic orbitals calculations

(2) Erba, Alessandro a Pisani, Cesare a

a UNIVERSITY OF TURIN (Italy)

Author keywords

ab initio simulations of crystalline materials; density matrix; electron correlation; electron momentum density

Indexed keywords

AB INITIO; CRYSTALLINE SILICONS; CRYSTALLINE SYSTEMS; DENSITY MATRIX; ELECTRON MOMENTUM DENSITIES; ELECTRON MOMENTUM DENSITY; LINEAR COMBINATION OF ATOMIC ORBITALS; LINEAR COMBINATIONS; LITHIUM FLUORIDE; SELF-CONSISTENT FIELD;

CALCULATIONS; CRYSTALLINE MATERIALS; ELECTRON CORRELATIONS; ELECTRONS; LITHIUM; QUANTUM CHEMISTRY;

HAMILTONIANS;

EID: 84857364244 PISSN: 01928651 EISSN: 1096987X Source Type: Journal
DOI: 10.1002/jcc.22907 Document Type: Article

Times cited : (11)

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