Zobrazeno 1 - 7
of 7
pro vyhledávání: '"E. Brener"'
Autor:
N. E. Brener
Publikováno v:
International Journal of Quantum Chemistry. 7:559-567
The time-dependent Hartree-Fock-Slater equation was used to derive an expression for the wave-vector- and frequency-dependent dielectric function ϵ(q, ω). The effect of including the Xα exchange in the derivation is to subtract a term from the Cou
Autor:
N. E. Brener
Publikováno v:
Physical Review B. 12:1487-1492
Publikováno v:
Physical Review B. 15:5811-5820
A study is presented of the two-center approximation to the multicentered integrals which appear in the Hartree-Fock theory of solids when a localized set of basis functions is employed. A model potential is introduced to simulate the complicated sel
Publikováno v:
Physical Review B. 16:5225-5232
Autor:
J. L. Fry, N. E. Brener
Publikováno v:
Physical Review B. 6:4016-4025
A convergence study is made of the reciprocal-lattice expansion of linear-combination-of-atomic-orbitals integrals in NaF. Converged integrals are obtained by direct summation and by extrapolation after different numbers of terms. It is found that ex
Publikováno v:
Physics Letters A. 63:49-50
The validity of linear-combination-of-Gaussian-orbital basis sets for conduction bands in solids is demonstrated by constructing a set which yields accurate energies for the nearly-free-electron gas in both the Hartree and Hartree-Fock approximations
Autor:
J. L. Fry, N. E. Brener
Publikováno v:
Physical Review B. 19:1326-1326