RHF energy band shapes for metallic chains: Dependence on the summation of exchange contributions. An illustration on the linear chain of hydrogen atoms-Reference-Cited by-同舟云学术

RHF energy band shapes for metallic chains: Dependence on the summation of exchange contributions. An illustration on the linear chain of hydrogen atoms

Published:1988-03 Issue:5 Volume:88 Page:3141-3146
ISSN:0021-9606
Container-title:The Journal of Chemical Physics
language:en
Short-container-title:The Journal of Chemical Physics

Author:

Delhalle J.,Delvaux M. H.,Fripiat J. G.,André J. M.,Calais J. L.

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://aip.scitation.org/doi/pdf/10.1063/1.453958

Reference21 articles.

1. Hartree-Fock formalism for solids. II. Application to the nearly-free-electron gas

2. Hartree-Fock density of states for extended systems

3. Convergence of direct space exchange lattice sums in polymer band structure calculations

4. Direct-space analysis of the Hartree-Fock energy bands and density of states for metallic extended systems

5. Pathological aspects of restricted Hartree-Fock band calculations for metallic chains

Cited by 28 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. Strong correlation in hydrogen chains and lattices using the variational two-electron reduced density matrix method;The Journal of Chemical Physics;2010-07-07

2. Ewald-type formulas for Gaussian-basis Bloch states in one-dimensionally periodic systems;The Journal of Chemical Physics;2010-01-28

3. Advantages of the Fourier space RHF band structure approach: Application to polyoxymethylene using a distributed basis set of s-type Gaussian functions;INT J QUANTUM CHEM;1998

4. Asymptotic behavior of the RHF energy of the PPP model of alternant cyclic polyenes;International Journal of Quantum Chemistry;1998

5. Advantages of the Fourier space RHF band structure approach: Application to polyoxymethylene using a distributed basis set ofs-type Gaussian functions;International Journal of Quantum Chemistry;1998