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- W2019929731 abstract "A Hartree-Fock-Slater calculation of the total crystal energy of diamond is performed using the orthogonalized-plane-wave (OPW) method. Half of the electron-electron interaction energy is subtracted from the one-electron value so that these terms are counted once. The full OPW wave function is used to calculate the electron-electron interaction. The results for the equilibrium lattice constant, bulk modulus, and cohesive energy are in excellent agreement with experiment." @default.
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- W2019929731 date "1970-03-15" @default.
- W2019929731 modified "2023-09-24" @default.
- W2019929731 title "First-Principles Calculation of the Bulk Modulus of Diamond" @default.
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- W2019929731 doi "https://doi.org/10.1103/physrevb.1.2574" @default.
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