These tools will no longer be maintained as of December 31, 2024. Archived website can be found here. PubMed4Hh GitHub repository can be found here. Contact NLM Customer Service if you have questions.


BIOMARKERS

Molecular Biopsy of Human Tumors

- a resource for Precision Medicine *

707 related articles for article (PubMed ID: 24697423)

  • 1. Global solutions of restricted open-shell Hartree-Fock theory from semidefinite programming with applications to strongly correlated quantum systems.
    Veeraraghavan S; Mazziotti DA
    J Chem Phys; 2014 Mar; 140(12):124106. PubMed ID: 24697423
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Spatial and Spin Symmetry Breaking in Semidefinite-Programming-Based Hartree-Fock Theory.
    Nascimento DR; DePrince AE
    J Chem Theory Comput; 2018 May; 14(5):2418-2426. PubMed ID: 29595979
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Large-scale semidefinite programming for many-electron quantum mechanics.
    Mazziotti DA
    Phys Rev Lett; 2011 Feb; 106(8):083001. PubMed ID: 21405567
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Dynamics of molecules in strong oscillating electric fields using time-dependent Hartree-Fock theory.
    Eshuis H; Balint-Kurti GG; Manby FR
    J Chem Phys; 2008 Mar; 128(11):114113. PubMed ID: 18361560
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Positive semidefinite tensor factorizations of the two-electron integral matrix for low-scaling ab initio electronic structure.
    Hoy EP; Mazziotti DA
    J Chem Phys; 2015 Aug; 143(6):064103. PubMed ID: 26277123
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Generalized Hartree-Fock Description of Molecular Dissociation.
    Jiménez-Hoyos CA; Henderson TM; Scuseria GE
    J Chem Theory Comput; 2011 Sep; 7(9):2667-74. PubMed ID: 26605457
    [TBL] [Abstract][Full Text] [Related]  

  • 7. On the convergence of Z-averaged perturbation theory.
    Wheeler SE; Allen WD; Schaefer HF
    J Chem Phys; 2008 Feb; 128(7):074107. PubMed ID: 18298140
    [TBL] [Abstract][Full Text] [Related]  

  • 8. A nonempirical scaling correction approach for density functional methods involving substantial amount of Hartree-Fock exchange.
    Zheng X; Zhou T; Yang W
    J Chem Phys; 2013 May; 138(17):174105. PubMed ID: 23656112
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Rigorous Lower Bounds for the Ground State Energy of Molecules by Employing Necessary N-Representability Conditions.
    Chaykin D; Jansson C; Keil F; Lange M; Ohlhus KT; Rump SM
    J Chem Theory Comput; 2020 Dec; 16(12):7342-7356. PubMed ID: 33185448
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Non-linearity of the Hartree-Fock equations. Multiple Hartree-Fock solutions.
    de Andrade MD; Sobrinho AMC; Malbouisson LAC
    J Mol Model; 2017 Sep; 23(10):291. PubMed ID: 28951975
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Constrained-pairing mean-field theory. IV. Inclusion of corresponding pair constraints and connection to unrestricted Hartree-Fock theory.
    Tsuchimochi T; Henderson TM; Scuseria GE; Savin A
    J Chem Phys; 2010 Oct; 133(13):134108. PubMed ID: 20942524
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Linearized Jastrow-style fluctuations on spin-projected Hartree-Fock.
    Henderson TM; Scuseria GE
    J Chem Phys; 2013 Dec; 139(23):234113. PubMed ID: 24359358
    [TBL] [Abstract][Full Text] [Related]  

  • 13. On the ordering of orbital energies in high-spin ROHF.
    Glaesemann KR; Schmidt MW
    J Phys Chem A; 2010 Aug; 114(33):8772-7. PubMed ID: 20443582
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Basis set and electron correlation effects on the polarizability and second hyperpolarizability of model open-shell pi-conjugated systems.
    Champagne B; Botek E; Nakano M; Nitta T; Yamaguchi K
    J Chem Phys; 2005 Mar; 122(11):114315. PubMed ID: 15839724
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Qualitative breakdown of the unrestricted Hartree-Fock energy.
    Mori-Sánchez P; Cohen AJ
    J Chem Phys; 2014 Oct; 141(16):164124. PubMed ID: 25362289
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Bounds on the overlap of the Hartree-Fock, optimized effective potential, and density functional approximations with the exact energy eigenstates.
    Thanos S; Theophilou AK
    J Chem Phys; 2006 May; 124(20):204109. PubMed ID: 16774321
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Canonical form of the Hartree-Fock orbitals in open-shell systems.
    Plakhutin BN; Davidson ER
    J Chem Phys; 2014 Jan; 140(1):014102. PubMed ID: 24410216
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Exchange energy gradients with respect to atomic positions and cell parameters within the Hartree-Fock Gamma-point approximation.
    Weber V; Daul C; Challacombe M
    J Chem Phys; 2006 Jun; 124(21):214105. PubMed ID: 16774396
    [TBL] [Abstract][Full Text] [Related]  

  • 19. A multiconfigurational time-dependent Hartree-Fock method for excited electronic states. I. General formalism and application to open-shell states.
    Miranda RP; Fisher AJ; Stella L; Horsfield AP
    J Chem Phys; 2011 Jun; 134(24):244101. PubMed ID: 21721606
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Approximate treatment of higher excitations in coupled-cluster theory. II. Extension to general single-determinant reference functions and improved approaches for the canonical Hartree-Fock case.
    Kállay M; Gauss J
    J Chem Phys; 2008 Oct; 129(14):144101. PubMed ID: 19045128
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 36.