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 *

104 related articles for article (PubMed ID: 9897310)

  • 1. Reply to "Comment on 'Valence-bond theory and the evaluation of electronic energy matrix elements between nonorthogonal Slater determinants' ".
    Balint-Kurti GG
    Phys Rev A Gen Phys; 1986 Jul; 34(1):672. PubMed ID: 9897310
    [No Abstract]   [Full Text] [Related]  

  • 2. Comment on "Valence-bond theory and the evaluation of electronic energy matrix elements between nonorthogonal Slater determinants".
    Gallup GA
    Phys Rev A Gen Phys; 1986 Jul; 34(1):671. PubMed ID: 9897309
    [No Abstract]   [Full Text] [Related]  

  • 3. Valence-bond theory and the evaluation of electronic energy matrix elements between nonorthogonal Slater determinants.
    Leasure SC; Balint-Kurti GG
    Phys Rev A Gen Phys; 1985 Apr; 31(4):2107-2113. PubMed ID: 9895738
    [No Abstract]   [Full Text] [Related]  

  • 4. Generalized nonorthogonal matrix elements: Unifying Wick's theorem and the Slater-Condon rules.
    Burton HGA
    J Chem Phys; 2021 Apr; 154(14):144109. PubMed ID: 33858143
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Generalized nonorthogonal matrix elements. II: Extension to arbitrary excitations.
    Burton HGA
    J Chem Phys; 2022 Nov; 157(20):204109. PubMed ID: 36456247
    [TBL] [Abstract][Full Text] [Related]  

  • 6. XMVB: a program for ab initio nonorthogonal valence bond computations.
    Song L; Mo Y; Zhang Q; Wu W
    J Comput Chem; 2005 Apr; 26(5):514-21. PubMed ID: 15704237
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Nonorthogonal orbital based N-body reduced density matrices and their applications to valence bond theory. I. Hamiltonian matrix elements between internally contracted excited valence bond wave functions.
    Chen Z; Chen X; Wu W
    J Chem Phys; 2013 Apr; 138(16):164119. PubMed ID: 23635123
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Nonorthogonal orbital based N-body reduced density matrices and their applications to valence bond theory. II. An efficient algorithm for matrix elements and analytical energy gradients in VBSCF method.
    Chen Z; Chen X; Wu W
    J Chem Phys; 2013 Apr; 138(16):164120. PubMed ID: 23635124
    [TBL] [Abstract][Full Text] [Related]  

  • 9. An efficient algorithm for energy gradients and orbital optimization in valence bond theory.
    Song L; Song J; Mo Y; Wu W
    J Comput Chem; 2009 Feb; 30(3):399-406. PubMed ID: 18629879
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Nonorthogonal orbital based N-body reduced density matrices and their applications to valence bond theory. IV. The automatic implementation of the Hessian based VBSCF method.
    Chen X; Chen Z; Wu W
    J Chem Phys; 2014 Nov; 141(19):194113. PubMed ID: 25416880
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Nonorthogonal orbital based n-body reduced density matrices and their applications to valence bond theory. III. Second-order perturbation theory using valence bond self-consistent field function as reference.
    Chen Z; Chen X; Ying F; Gu J; Zhang H; Wu W
    J Chem Phys; 2014 Oct; 141(13):134118. PubMed ID: 25296795
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Reply to "Comment on 'Insights into the Electronic Structure of Ozone and Sulfur Dioxide from Generalized Valence Bond Theory: Bonding in O3 and SO2'".
    Dunning TH; Takeshita TY; Lindquist BA
    J Phys Chem A; 2016 Jan; 120(1):171-2. PubMed ID: 26654404
    [No Abstract]   [Full Text] [Related]  

  • 13. On the efficiency of VBSCF algorithms, a comment on "An efficient algorithm for energy gradients and orbital optimization in valence bond theory".
    van Lenthe JH; Broer-Braam HB; Rashid Z
    J Comput Chem; 2012 Mar; 33(8):911-3; discussion 914-5. PubMed ID: 22278948
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Multiconfiguration Pair-Density Functional Theory: A New Way To Treat Strongly Correlated Systems.
    Gagliardi L; Truhlar DG; Li Manni G; Carlson RK; Hoyer CE; Bao JL
    Acc Chem Res; 2017 Jan; 50(1):66-73. PubMed ID: 28001359
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Accurate Ab Initio Calculation of Molecular Constants.
    Kotochigova S; Tupitsyn I
    J Res Natl Inst Stand Technol; 1998; 103(2):201-204. PubMed ID: 28009365
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Valence : A Massively Parallel Implementation of the Variational Subspace Valence Bond Method.
    Fletcher GD; Bertoni C; Keçeli M; D'Mello M
    J Comput Chem; 2019 Jun; 40(17):1664-1673. PubMed ID: 30919485
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Seniority Number in Valence Bond Theory.
    Chen Z; Zhou C; Wu W
    J Chem Theory Comput; 2015 Sep; 11(9):4102-8. PubMed ID: 26575906
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Hamiltonian Matrix Correction Based Density Functional Valence Bond Method.
    Zhou C; Zhang Y; Gong X; Ying F; Su P; Wu W
    J Chem Theory Comput; 2017 Feb; 13(2):627-634. PubMed ID: 27992721
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Orthogonal natural atomic orbitals form an appropriate one-electron basis for expanding CASSCF wave functions into localized bonding schemes and their weights.
    Bachler V
    J Comput Chem; 2007 Sep; 28(12):2013-9. PubMed ID: 17407092
    [TBL] [Abstract][Full Text] [Related]  

  • 20. A multireference perturbation method using non-orthogonal Hartree-Fock determinants for ground and excited states.
    Yost SR; Kowalczyk T; Van Voorhis T
    J Chem Phys; 2013 Nov; 139(17):174104. PubMed ID: 24206284
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 6.