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There are 44932 results for: content related to: Asymptotic structure of the Kohn–Sham effective potential at metal surfaces

  1. Exact electronic properties in the classically forbidden region of a metal surface

    International Journal of Quantum Chemistry

    Volume 104, Issue 6, 2005, Pages: 929–945, Zhixin Qian and Viraht Sahni

    Article first published online : 12 MAY 2005, DOI: 10.1002/qua.20609

  2. The work formalism of electronic structure

    International Journal of Quantum Chemistry

    Volume 56, Issue 4, 15 November 1995, Pages: 265–283, Viraht Sahni

    Article first published online : 21 SEP 2004, DOI: 10.1002/qua.560560412

  3. Exchange potentials at a metal surface

    International Journal of Quantum Chemistry

    Volume 56, Issue S29, 25 February/4 March 1995, Pages: 31–40, Alexander Solomatin and Viraht Sahni

    Article first published online : 21 SEP 2004, DOI: 10.1002/qua.560560805

  4. The gradient expansion approximation for exchange: A physical prespective

    International Journal of Quantum Chemistry

    Volume 44, Issue S26, 14/21 March 1992, Pages: 333–345, Marlina Slamet and Viraht Sahni

    Article first published online : 19 OCT 2004, DOI: 10.1002/qua.560440829

  5. Quantum-Mechanical interpretation of the local many-body potential of density-functional theory

    International Journal of Quantum Chemistry

    Volume 38, Issue S24, 17/24 March 1990, Pages: 569–584, Viraht Sahni and Manoj K. Harbola

    Article first published online : 19 OCT 2004, DOI: 10.1002/qua.560382456

  6. Derivation and reinterpretation of approximations in Schröudinger and Kohn–;Sham theory via a hierarchy within the work formalism

    International Journal of Quantum Chemistry

    Volume 53, Issue 6, 15 March 1995, Pages: 591–606, Viraht Sahni

    Article first published online : 21 SEP 2004, DOI: 10.1002/qua.560530603

  7. Towards a first-principles implementation of density-functional theory at a metal surface

    International Journal of Quantum Chemistry

    Volume 44, Issue S26, 14/21 March 1992, Pages: 837–852, A. G. Eguiluz, J. J. Deisz, M. Heinrichsmeier, A. Fleszar and W. Hanke

    Article first published online : 19 OCT 2004, DOI: 10.1002/qua.560440873

  8. Density functional theory via density matrices

    International Journal of Quantum Chemistry

    Volume 56, Issue S29, 25 February/4 March 1995, Pages: 137–144, N. H. March

    Article first published online : 21 SEP 2004, DOI: 10.1002/qua.560560814

  9. Electron correlations in Kohn–Sham exchange-only theory

    International Journal of Quantum Chemistry

    Volume 71, Issue 6, 1999, Pages: 473–480, Viraht Sahni and Marlina Slamet

    Article first published online : 3 JAN 1999, DOI: 10.1002/(SICI)1097-461X(1999)71:6<473::AID-QUA4>3.0.CO;2-V

  10. Accurate local spin-polarized exchange potential: Reconciliation of generalized Slater and Kohn–Sham methods

    International Journal of Quantum Chemistry

    Volume 41, Issue 3, 5 February 1992, Pages: 489–496, J. B. Krieger, Yan Li and G. J. Iafrate

    Article first published online : 19 OCT 2004, DOI: 10.1002/qua.560410311

  11. Analysis of the density-gradient-expansion approximation for the exchange-correlation energy of density-functional theory

    International Journal of Quantum Chemistry

    Volume 40, Issue S25, 1991, Pages: 235–248, Marlina Slamet and Viraht Sahni

    Article first published online : 19 OCT 2004, DOI: 10.1002/qua.560400824

  12. You have free access to this content
    Structure of the Castillo granite, Southwest Spain: Variscan deformation of a late Cadomian pluton

    Tectonics

    Volume 18, Issue 6, December 1999, Pages: 1041–1063, L. Eguíluz, A. Apraiz, B. Ábalos

    Article first published online : 26 JUL 2010, DOI: 10.1029/1999TC900037

  13. Modified Slater potential and its application to the ground-states and excited-states of atomic systems

    International Journal of Quantum Chemistry

    Volume 90, Issue 1, 2002, Pages: 327–333, Manoj K. Harbola and K. D. Sen

    Article first published online : 9 MAY 2002, DOI: 10.1002/qua.943

  14. Analytical asymptotic structure of the Pauli, Coulomb, and correlation–kinetic components of the Kohn–Sham theory exchange–correlation potential in atoms

    International Journal of Quantum Chemistry

    Volume 70, Issue 4-5, 1998, Pages: 671–680, Zhixin Qian and Viraht Sahni

    Article first published online : 7 DEC 1998, DOI: 10.1002/(SICI)1097-461X(1998)70:4/5<671::AID-QUA13>3.0.CO;2-5

  15. Nonlocal density functional calculations of the jellium metal surface

    International Journal of Quantum Chemistry

    Volume 56, Issue 6, 15 December 1995, Pages: 847–860, C. Jȩdrzejek, A. Wyżliński and J. Gryko

    Article first published online : 21 SEP 2004, DOI: 10.1002/qua.560560622

  16. Linear response and quasiparticle calculations as probes of the Kohn-Sham eigenvalues in metals

    International Journal of Quantum Chemistry

    Volume 60, Issue 7, 1996, Pages: 1457–1468, Adolfo G. Eguiluz

    Article first published online : 6 DEC 1998, DOI: 10.1002/(SICI)1097-461X(1996)60:7<1457::AID-QUA27>3.0.CO;2-#

  17. On the applicability of the screened-Coulomb exchange model in Kohn–Sham density functional studies

    International Journal of Quantum Chemistry

    Volume 49, Issue 2, 15 January 1994, Pages: 67–80, E. I. Proynov and D. R. Salahub

    Article first published online : 21 SEP 2004, DOI: 10.1002/qua.560490202

  18. First-order correlation-kinetic contribution to Kohn–Sham exchange charge density function in atoms, using quantal density functional theory approach

    International Journal of Quantum Chemistry

    Volume 101, Issue 3, 2005, Pages: 231–238, K. D. Sen and F. Javier Luque

    Article first published online : 13 OCT 2004, DOI: 10.1002/qua.20262

  19. Structure of the correlation–kinetic component of the Kohn–Sham exchange potential in atoms and at metal surfaces

    International Journal of Quantum Chemistry

    Volume 65, Issue 5, 1997, Pages: 893–906, Alexander Solomatin and Viraht Sahni

    Article first published online : 6 DEC 1998, DOI: 10.1002/(SICI)1097-461X(1997)65:5<893::AID-QUA53>3.0.CO;2-X

  20. Static polarizabilities for the ne-isoelectronic series using Harbola–Sahni potential

    International Journal of Quantum Chemistry

    Volume 44, Issue 6, 5 December 1992, Pages: 1041–1044, J. Samuel and K. D. Sen

    Article first published online : 19 OCT 2004, DOI: 10.1002/qua.560440608