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 *

147 related articles for article (PubMed ID: 31820967)

  • 1. Symmetry in Multiple Self-Consistent-Field Solutions of Transition-Metal Complexes.
    Huynh BC; Thom AJW
    J Chem Theory Comput; 2020 Feb; 16(2):904-930. PubMed ID: 31820967
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Localized Spin Rotations: A Size-Consistent Approach to Nonorthogonal Configuration Interaction.
    Lee N; Thom AJW
    J Chem Theory Comput; 2022 Feb; 18(2):710-722. PubMed ID: 35001619
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Symmetry breaking in the cyclic C(3)C(2)H radical.
    Mintz B; Crawford TD
    Phys Chem Chem Phys; 2010 Dec; 12(47):15459-67. PubMed ID: 20978676
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Symmetry Breaking and Broken Ergodicity in Full Configuration Interaction Quantum Monte Carlo.
    Thomas RE; Overy C; Booth GH; Alavi A
    J Chem Theory Comput; 2014 May; 10(5):1915-22. PubMed ID: 26580521
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Selection of active spaces for multiconfigurational wavefunctions.
    Keller S; Boguslawski K; Janowski T; Reiher M; Pulay P
    J Chem Phys; 2015 Jun; 142(24):244104. PubMed ID: 26133407
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Utilizing Essential Symmetry Breaking in Auxiliary-Field Quantum Monte Carlo: Application to the Spin Gaps of the C
    Lee J; Malone FD; Morales MA
    J Chem Theory Comput; 2020 May; 16(5):3019-3027. PubMed ID: 32283932
    [TBL] [Abstract][Full Text] [Related]  

  • 7. A combined first- and second-order optimization method for improving convergence of Hartree-Fock and Kohn-Sham calculations.
    Kreplin DA; Werner HJ
    J Chem Phys; 2022 Jun; 156(21):214111. PubMed ID: 35676156
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Half-Projected σ Self-Consistent Field For Electronic Excited States.
    Ye HZ; Van Voorhis T
    J Chem Theory Comput; 2019 May; 15(5):2954-2965. PubMed ID: 30995060
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Hartree-Fock symmetry breaking around conical intersections.
    Jake LC; Henderson TM; Scuseria GE
    J Chem Phys; 2018 Jan; 148(2):024109. PubMed ID: 29331114
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Parity-Time Symmetry in Hartree-Fock Theory.
    Burton HGA; Thom AJW; Loos PF
    J Chem Theory Comput; 2019 Aug; 15(8):4374-4385. PubMed ID: 31260297
    [TBL] [Abstract][Full Text] [Related]  

  • 11. 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]  

  • 12. Locating multiple self-consistent field solutions: an approach inspired by metadynamics.
    Thom AJ; Head-Gordon M
    Phys Rev Lett; 2008 Nov; 101(19):193001. PubMed ID: 19113263
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Vibronic coupling in cyclopentadienyl radical: a method for calculation of vibronic coupling constant and vibronic coupling density analysis.
    Sato T; Tokunaga K; Tanaka K
    J Chem Phys; 2006 Jan; 124(2):024314. PubMed ID: 16422590
    [TBL] [Abstract][Full Text] [Related]  

  • 14. A simple way to test for collinearity in spin symmetry broken wave functions: general theory and application to generalized Hartree Fock.
    Small DW; Sundstrom EJ; Head-Gordon M
    J Chem Phys; 2015 Mar; 142(9):094112. PubMed ID: 25747066
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Real versus artifactual symmetry-breaking effects in Hartree-Fock, density-functional, and coupled-cluster methods.
    Russ NJ; Crawford TD; Tschumper GS
    J Chem Phys; 2004 Apr; 120(16):7298-306. PubMed ID: 15267639
    [TBL] [Abstract][Full Text] [Related]  

  • 16. DFT-based studies on the Jahn-Teller effect in 3d hexacyanometalates with orbitally degenerate ground states.
    Atanasov M; Comba P; Daul CA; Hauser A
    J Phys Chem A; 2007 Sep; 111(37):9145-63. PubMed ID: 17718456
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Hubbard Trimer with Spin-Orbit Coupling: Hartree-Fock Solutions, (Non)Collinearity, and Anisotropic Spin Hamiltonian.
    Ghassemi Tabrizi S; Arbuznikov AV; Kaupp M
    J Phys Chem A; 2019 Mar; 123(12):2361-2378. PubMed ID: 30726085
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Finite-temperature coupled-cluster, many-body perturbation, and restricted and unrestricted Hartree-Fock study on one-dimensional solids: Luttinger liquids, Peierls transitions, and spin- and charge-density waves.
    Hermes MR; Hirata S
    J Chem Phys; 2015 Sep; 143(10):102818. PubMed ID: 26374011
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Potential energy curves and electronic structure of 3d transition metal hydrides and their cations.
    Goel S; Masunov AE
    J Chem Phys; 2008 Dec; 129(21):214302. PubMed ID: 19063556
    [TBL] [Abstract][Full Text] [Related]  

  • 20. General Approach for Multireference Ground and Excited States Using Nonorthogonal Configuration Interaction.
    Burton HGA; Thom AJW
    J Chem Theory Comput; 2019 Sep; 15(9):4851-4861. PubMed ID: 31381337
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 8.