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Scitation Search Results |
You were searching for : (scf calculations)  
You found 4469 out of 1941613 (500 returned)
Documents 1 - 10 listed on this page
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1. |
Sodium atom on copper clusters
 Hiroshi Tatewaki, Mutsumi Tomonari, and Takashi Nakamura
Phys. Rev. B 35, 581 (1987) [ PROLA Link ]
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2. |
Electronic structure and prediction of atomization energy of naked homoleptic uranium hexacarbonyl U(CO)6
Gulzari L. Malli
J. Chem. Phys. 124, 021102 (2006) Full Text: [ Full Text PDF (64 kB) ] Order Document
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3. |
The transition-state region of the O(3P) + O2(3  ) potential energy surface
Reinhard Schinke and Paul Fleurat-Lessard
J. Chem. Phys. 121, 5789 (2004) Full Text: [ Full Text PDF (81 kB) ] Order Document
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4. |
Vector Coupling Coefficients for Atomic Self-Consistent-Field (SCF) Calculations
Gulzari L. Malli and J. P. Olive
J. Chem. Phys. 43, 861 (1965) Full Text: [ PDF (140 kB) ] Order Document
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5. |
Dissociation energy of ekaplutonium fluoride E126F: The first diatomic with molecular spinors consisting of g atomic spinors
Gulzari L. Malli
J. Chem. Phys. 124, 071102 (2006) Full Text: [ Full Text PDF (48 kB) ] Order Document
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6. |
Semiquantal time-dependent Hartree approach to condensed phase chemical dynamics: Application to the system-bath model
Koji Ando
J. Chem. Phys. 121, 7136 (2004) Full Text: [ Full Text PDF (156 kB) ] Order Document
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7. |
A localized orbitals based embedded cluster procedure for modeling chemisorption on large finite clusters and infinitely extended surfaces
John D. Head and Susil J. Silva
J. Chem. Phys. 104, 3244 (1996) Full Text: [ PDF (281 kB) ] Order Document
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8. |
Computed self-consistent field and singles and doubles configuration interaction spectroscopic data and dissociation energies for the diatomics B2, C2, N2, O2, F2, CN, CP, CS, PN, SiC, SiN, SiO, SiP, and their ions
A. D. McLean, B. Liu, and G. S. Chandler
J. Chem. Phys. 97, 8459 (1992) Full Text: [ PDF (769 kB) ] Order Document
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9. |
UHF natural orbitals for defining and starting MC-SCF calculations
Peter Pulay and Tracy P. Hamilton
J. Chem. Phys. 88, 4926 (1988) Full Text: [ PDF (813 kB) ] Order Document
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10. |
Theoretical study of the electronic spectrum of SiH4
C. Larrieu, D. Liotard, M. Chaillet, and A. Dargelos
J. Chem. Phys. 88, 3848 (1988) Full Text: [ PDF (512 kB) ] Order Document
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