Pressure Calculations and the Virial Theorem for Modified Hartree-Fock Solids and Atoms
- 15 March 1969
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review B
- Vol. 179 (3), 612-615
- https://doi.org/10.1103/physrev.179.612
Abstract
An expression for the pressure of a Hartree-Fock-Slater solid is derived. It is shown that for this expression only those forms of the local exchange potential that are rigorously derived from the variational principle will give meaningful results in pressure calculations.Keywords
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