statistical exchange Latest Research Papers

Binding energies are calculated using the orbital energies within the Kohn-Sham-Gaspar statistical exchange approximation for the Xe and Ar isoelectronic series, respectively. The results are generally in good agreement with the available Hartree-Fock orbital energies.

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Eigenvalues and orbital energies in the Xα statistical exchange method

Chemical Physics Letters ◽

10.1016/0009-2614(77)85429-8 ◽

1977 ◽

Vol 51 (3) ◽

pp. 582-584 ◽

Cited By ~ 17

Author(s):

J.H. Wood

Keyword(s):

Exchange Method ◽

Orbital Energies ◽

Statistical Exchange

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A discussion of the Xα statistical exchange approach for atoms and molecules

Chemical Physics Letters ◽

10.1016/0009-2614(77)85250-0 ◽

1977 ◽

Vol 46 (2) ◽

pp. 236-241 ◽

Cited By ~ 8

Author(s):

S.J. Niemczyk ◽

C.F. Melius

Keyword(s):

Atoms And Molecules ◽

Statistical Exchange

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Theoretical models for oxidized rubredoxin. SCF-X.alpha.-SW [self-consistent field statistical-exchange-correlation scattered-wave] calculations on tetrathioferrate(5-), tetramercaptoferrate(1-), and tetrakis(methylthio)ferrate(1-) ions

Journal of the American Chemical Society ◽

10.1021/ja00846a054 ◽

1975 ◽

Vol 97 (13) ◽

pp. 3833-3835 ◽

Cited By ~ 29

Author(s):

Joe G. Norman ◽

Susan C. Jackels

Keyword(s):

Scattered Wave ◽

Theoretical Models ◽

Exchange Correlation ◽

Consistent Field ◽

Self Consistent ◽

Self Consistent Field ◽

Statistical Exchange

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Calculation of electronic structure ofTCNQ molecule by self-consistent statistical-exchange multiple-scattering method

Il Nuovo Cimento B ◽

10.1007/bf02737510 ◽

1974 ◽

Vol 23 (1) ◽

pp. 282-291 ◽

Cited By ~ 14

Author(s):

F. Herman ◽

I. P. Batra

Keyword(s):

Electronic Structure ◽

Multiple Scattering ◽

Scattering Method ◽

Self Consistent ◽

Multiple Scattering Method ◽

Statistical Exchange

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statistical exchange
Recently Published Documents

TOTAL DOCUMENTS

H-INDEX

Statistical exchange-coupling errors and the practicality of scalable silicon donor qubits

A statistical exchange approximation for localized electrons

Statistical exchange and the total energy of a crystal

Atomic multiplet structures obtained from Hartree-Fock, statistical exchange and local spin density approximations

Calculation of One-Electron Charge, Momentum, and Spin Densities: The Statistical Exchange Approximation

Notizen: Orbital Binding Energies within the Statistical Exchange Approximation: Ne and Ar Isoelectronic Series

Eigenvalues and orbital energies in the Xα statistical exchange method

A discussion of the Xα statistical exchange approach for atoms and molecules

Theoretical models for oxidized rubredoxin. SCF-X.alpha.-SW [self-consistent field statistical-exchange-correlation scattered-wave] calculations on tetrathioferrate(5-), tetramercaptoferrate(1-), and tetrakis(methylthio)ferrate(1-) ions

Calculation of electronic structure ofTCNQ molecule by self-consistent statistical-exchange multiple-scattering method

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statistical exchangeRecently Published Documents

TOTAL DOCUMENTS

H-INDEX

Statistical exchange-coupling errors and the practicality of scalable silicon donor qubits

A statistical exchange approximation for localized electrons

Statistical exchange and the total energy of a crystal

Atomic multiplet structures obtained from Hartree-Fock, statistical exchange and local spin density approximations

Calculation of One-Electron Charge, Momentum, and Spin Densities: The Statistical Exchange Approximation

Notizen: Orbital Binding Energies within the Statistical Exchange Approximation: Ne and Ar Isoelectronic Series

Eigenvalues and orbital energies in the Xα statistical exchange method

A discussion of the Xα statistical exchange approach for atoms and molecules

Theoretical models for oxidized rubredoxin. SCF-X.alpha.-SW [self-consistent field statistical-exchange-correlation scattered-wave] calculations on tetrathioferrate(5-), tetramercaptoferrate(1-), and tetrakis(methylthio)ferrate(1-) ions

Calculation of electronic structure ofTCNQ molecule by self-consistent statistical-exchange multiple-scattering method

statistical exchange
Recently Published Documents