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• W1941177718 abstract "Potential-functional theory is an intriguing alternative to density-functional theory for solving electronic-structure problems. We derive and solve equations using interacting potential functionals. A semiclassical approximation to exchange in one dimension with hard-wall boundary conditions is found to be almost exact (compared to standard density-functional approximations). The variational stability of this approximation is tested, and its far greater accuracy relative to the local-density approximation demonstrated. Even a fully orbital-free potential-functional calculation yields little error relative to exact exchange, for more than one orbital." @default.
• W1941177718 created "2016-06-24" @default.
• W1941177718 creator A5007292432 @default.
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• W1941177718 date "2015-08-27" @default.
• W1941177718 modified "2023-10-15" @default.
• W1941177718 title "Almost exact exchange at almost no computational cost in electronic structure" @default.
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• W1941177718 doi "https://doi.org/10.1103/physreva.92.022513" @default.
• W1941177718 hasPublicationYear "2015" @default.
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