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There are 15088 results for: content related to: A comparison of ground-state averages in electron propagator theory

  1. Electron propagator theory: an approach to prediction and interpretation in quantum chemistry

    Wiley Interdisciplinary Reviews: Computational Molecular Science

    Volume 3, Issue 2, March/April 2013, Pages: 123–142, Joseph Vincent Ortiz

    Version of Record online : 25 SEP 2012, DOI: 10.1002/wcms.1116

  2. Total energies and energy gradients in electron propagator theory

    International Journal of Quantum Chemistry

    Volume 44, Issue S26, 14/21 March 1992, Pages: 1–11, J. V. Ortiz

    Version of Record online : 19 OCT 2004, DOI: 10.1002/qua.560440805

  3. Coherent state path integral and super-symmetry for condensates composed of bosonic and fermionic atoms

    Fortschritte der Physik

    Volume 55, Issue 9-10, September 2007, Pages: 989–1120, B. Mieck

    Version of Record online : 31 JUL 2007, DOI: 10.1002/prop.200710392

  4. Ensemble averaged coherent state path integral for disordered bosons with a repulsive interaction (Derivation of mean field equations)

    Fortschritte der Physik

    Volume 55, Issue 9-10, September 2007, Pages: 951–988, B. Mieck

    Version of Record online : 31 JUL 2007, DOI: 10.1002/prop.200710391

  5. Coupled cluster approach to the single-particle Green's function

    International Journal of Quantum Chemistry

    Volume 44, Issue S26, 14/21 March 1992, Pages: 55–83, Marcel Nooijen and Jaap G. Snijders

    Version of Record online : 19 OCT 2004, DOI: 10.1002/qua.560440808

  6. Delocalization of Dyson orbitals in F(H2O) and Cl(H2O)

    International Journal of Quantum Chemistry

    Volume 111, Issue 7-8, June - July 2011, Pages: 1701–1708, O. Dolgounitcheva, V. G. Zakrzewski and J. V. Ortiz

    Version of Record online : 29 JUN 2010, DOI: 10.1002/qua.22705

  7. Approximate Brueckner orbitals and shakeup operators in electron propagator calculations: Applications to F And OH

    International Journal of Quantum Chemistry

    Volume 70, Issue 4-5, 1998, Pages: 651–658, J. V. Ortiz

    Version of Record online : 7 DEC 1998, DOI: 10.1002/(SICI)1097-461X(1998)70:4/5<651::AID-QUA11>3.0.CO;2-5

  8. Three approximations to the nonlocal and energy-dependent correlation potential in electron propagator theory

    International Journal of Quantum Chemistry

    Volume 110, Issue 3, 5 March 2010, Pages: 706–715, R. Flores-Moreno, J. Melin, O. Dolgounitcheva, V. G. Zakrzewski and J. V. Ortiz

    Version of Record online : 29 JUN 2009, DOI: 10.1002/qua.22131

  9. Coupled cluster Green's function method: Working equations and applications

    International Journal of Quantum Chemistry

    Volume 48, Issue 1, 5 October 1993, Pages: 15–48, Marcel Nooijen and Jaap G. Snijders

    Version of Record online : 19 OCT 2004, DOI: 10.1002/qua.560480103

  10. Comparison of perturbative and multiconfigurational electron propagator methods

    International Journal of Quantum Chemistry

    Volume 60, Issue 1, 5 October 1996, Pages: 29–36, V. G. Zakrzewski, J. V. Ortiz, Jeffrey A. Nichols, Dodi Heryadi, Danny L. Yeager and Joseph T. Golab

    Version of Record online : 6 DEC 1998, DOI: 10.1002/(SICI)1097-461X(1996)60:1<29::AID-QUA3>3.0.CO;2-7

  11. Partial third-order quasiparticle theory: An application to the photoelectron spectrum of S-tetrazine

    International Journal of Quantum Chemistry

    Volume 63, Issue 2, 1997, Pages: 291–299, J. V. Ortiz

    Version of Record online : 6 DEC 1998, DOI: 10.1002/(SICI)1097-461X(1997)63:2<291::AID-QUA2>3.0.CO;2-R

  12. Time-dependent quantum transport theory and its applications to graphene nanoribbons

    physica status solidi (b)

    Volume 250, Issue 11, November 2013, Pages: 2481–2494, Hang Xie, Yanho Kwok, Yu Zhang, Feng Jiang, Xiao Zheng, YiJing Yan and GuanHua Chen

    Version of Record online : 30 OCT 2013, DOI: 10.1002/pssb.201349247

  13. Second-order shakeup terms in electron propagator calculations on F2 and H2O2

    International Journal of Quantum Chemistry

    Volume 69, Issue 2, 1998, Pages: 175–182, J. V. Ortiz

    Version of Record online : 6 DEC 1998, DOI: 10.1002/(SICI)1097-461X(1998)69:2<175::AID-QUA5>3.0.CO;2-S

  14. Pairwise decomposition of an MMGBSA energy function for computational protein design

    Journal of Computational Chemistry

    Volume 35, Issue 18, 5 July 2014, Pages: 1371–1387, Thomas Gaillard and Thomas Simonson

    Version of Record online : 23 MAY 2014, DOI: 10.1002/jcc.23637

  15. Improved description of the orbital relaxation effect by practical use of the self-energy

    International Journal of Quantum Chemistry

    Volume 114, Issue 9, 5 May 2014, Pages: 577–586, Masaaki Saitow, Tomonori Ida and Yuji Mochizuki

    Version of Record online : 4 FEB 2014, DOI: 10.1002/qua.24625

  16. Comparison of electron propagator methods for calculating electron detachment energies of anions

    International Journal of Quantum Chemistry

    Volume 65, Issue 5, 1997, Pages: 463–469, O. Dolgounitcheva, V. G. Zakrzewski and J. V. Ortiz

    Version of Record online : 6 DEC 1998, DOI: 10.1002/(SICI)1097-461X(1997)65:5<463::AID-QUA10>3.0.CO;2-4

  17. An efficient, renormalized self-energy for calculating the electron binding energies of closed-shell molecules and anions

    International Journal of Quantum Chemistry

    Volume 105, Issue 6, 2005, Pages: 803–808, J. V. Ortiz

    Version of Record online : 3 JUN 2005, DOI: 10.1002/qua.20664

  18. Electron propagator calculations with nondiagonal partial fourth-order self-energies and unrestricted hartree-fock reference states

    International Journal of Quantum Chemistry

    Volume 36, Issue S23, 1/8 April 1989, Pages: 321–332, J. V. Ortiz

    Version of Record online : 19 JUN 2009, DOI: 10.1002/qua.560360835

  19. A Critical Assessment of Coupled Cluster Method in Quantum Chemistry

    Advances in Chemical Physics, Volume 110

    Josef Paldus, Xiangzhu Li, Pages: 1–175, 2007

    Published Online : 14 MAR 2007, DOI: 10.1002/9780470141694.ch1

  20. Proton-Coupled Electron Transfer

    Electron Transfer in Chemistry

    Vincenzo Balzani, Pages: 189–214, 2008

    Published Online : 14 APR 2008, DOI: 10.1002/9783527618248.ch5