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Darwinocoris australicus
Known as:
Darwinocoris australicus Slater
National Institutes of Health
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2007
2007
Grid-free density functional calculations on periodic systems.
Š. Varga
Journal of Chemical Physics
2007
Corpus ID: 34291047
Density fitting scheme is applied to the exchange part of the Kohn-Sham potential matrix in a grid-free local density…
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2006
2006
Relativistic density functional calculations using two-spinor minimax finite-element method and linear combination of atomic orbitals for ZnO, CdO, HgO, UubO and Cu2, Ag2, Au2, Rg2.
O. Kullie
,
H. Zhang
,
J. Kolb
,
D. Kolb
Journal of Chemical Physics
2006
Corpus ID: 2838643
In previous work the authors have presented a highly accurate two-spinor fully relativistic solution of the two-center Coulomb…
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2004
2004
Exchange kernel of density functional response theory from the common energy denominator approximation (CEDA) for the Kohn–Sham Green's function
O. Gritsenko
,
E. Baerends
2004
Corpus ID: 95068635
A complete and explicit expression for the exchange kernel fxσ of density functional response theory (DFRT) is derived in terms…
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2002
2002
Slater ice rules and H-bond dynamics in KDP-type systems.
R. Kind
,
P. M. Cereghetti
,
C. Jeitziner
,
B. Zalar
,
J. Dolinšek
,
R. Blinc
Physical Review Letters
2002
Corpus ID: 38587124
We report on the first observation of the dynamics of correlated hydrogen switching among the six Slater D2PO4 configurations…
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1995
1995
All-electron relativistic Dirac-Fock-Slater self-consistent-field calculations of the singly charged diatomic transition-metal- (Fe, Co, Ni, Cu, Zn) argon molecules.
Bastug
,
Sepp
,
Fricke
,
Johnson
,
Barshick
Physical Review A. Atomic, Molecular, and Optical…
1995
Corpus ID: 9873707
The spectroscopic constants of the singly charged diatomic transition-metal\char21{}(Fe, Co, Ni, Cu, Zn) argon adduct ions are…
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1986
1986
Transferable nonorthogonal tight-binding parameters for silicon.
Allen
,
Broughton
,
McMahan
Physical Review B (Condensed Matter)
1986
Corpus ID: 32630617
Nonorthogonal Slater-Koster (''tight-binding'') parameters have been fitted to linear muffin-tin orbital band structures of…
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1986
1986
Photoeffect in the 5d, 6s, and 6p subshells of atomic lead between 25 and 110 eV.
Krause
,
Gérard
,
Fahlman
,
Carlson
,
Svensson
Physical review. A, General physics
1986
Corpus ID: 39596700
Partial cross sections sigma and angular distribution parameters ..beta.. were measured for the 5d subshell of atomic lead…
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1986
1986
Theory of superconductivity in palladium-noble-metal hydrides.
Laufer
,
Papaconstantopoulos
Physical Review B (Condensed Matter)
1986
Corpus ID: 40593797
Emploi de l'approximation du potentiel coherent en liaison forte pour calculer les densites d'etats electroniques pour…
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1985
1985
Relativistic study of K-shell x-ray and Auger-electron energy shifts for additional atomic vacancies.
Bhattacharya
,
Datta
,
Talukdar
Physical review. A, General physics
1985
Corpus ID: 28689818
The hydrogenic model of Burch et al. for calculating the energy shifts of the K x ray and Auger electrons for a vacancy in the L…
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1980
1980
Hartree—fock—slater-LCAO calculations on [Fe4S4(SH)4]0, 2−,3−: a model for the 4-Fe active site in high potential iron protein and ferredoxin
P. Geurts
,
J. W. Gosselink
,
A. Avoird
,
E. Baerends
,
J. G. Snijders
1980
Corpus ID: 51753698
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