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 *

344 related articles for article (PubMed ID: 16836452)

  • 1. Hamiltonian matrix and reduced density matrix construction with nonlinear wave functions.
    Shepard R
    J Phys Chem A; 2006 Jul; 110(28):8880-92. PubMed ID: 16836452
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Evaluation of the spin-orbit interaction within the graphically contracted function method.
    Brozell SR; Shepard R
    J Phys Chem A; 2009 Nov; 113(45):12741-7. PubMed ID: 19736962
    [TBL] [Abstract][Full Text] [Related]  

  • 3. A general nonlinear expansion form for electronic wave functions.
    Shepard R
    J Phys Chem A; 2005 Dec; 109(50):11629-41. PubMed ID: 16354056
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Atomic spectral methods for molecular electronic structure calculations.
    Langhoff PW; Boatz JA; Hinde RJ; Sheehy JA
    J Chem Phys; 2004 Nov; 121(19):9323-42. PubMed ID: 15538852
    [TBL] [Abstract][Full Text] [Related]  

  • 5. The multifacet graphically contracted function method. I. Formulation and implementation.
    Shepard R; Gidofalvi G; Brozell SR
    J Chem Phys; 2014 Aug; 141(6):064105. PubMed ID: 25134549
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Intermediate state representation approach to physical properties of electronically excited molecules.
    Schirmer J; Trofimov AB
    J Chem Phys; 2004 Jun; 120(24):11449-64. PubMed ID: 15268179
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Density matrix formulation of the nuclear-electronic orbital approach with explicit electron-proton correlation.
    Chakraborty A; Hammes-Schiffer S
    J Chem Phys; 2008 Nov; 129(20):204101. PubMed ID: 19045846
    [TBL] [Abstract][Full Text] [Related]  

  • 8. An explicitly spin-free compact open-shell coupled cluster theory using a multireference combinatoric exponential ansatz: formal development and pilot applications.
    Datta D; Mukherjee D
    J Chem Phys; 2009 Jul; 131(4):044124. PubMed ID: 19655854
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Atomic spectral-product representations of molecular electronic structure: metric matrices and atomic-product composition of molecular eigenfunctions.
    Ben-Nun M; Mills JD; Hinde RJ; Winstead CL; Boatz JA; Gallup GA; Langhoff PW
    J Phys Chem A; 2009 Jul; 113(26):7687-97. PubMed ID: 19552480
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Active-space two-electron reduced-density-matrix method: complete active-space calculations without diagonalization of the N-electron Hamiltonian.
    Gidofalvi G; Mazziotti DA
    J Chem Phys; 2008 Oct; 129(13):134108. PubMed ID: 19045079
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Excited states of large open-shell molecules: an efficient, general, and spin-adapted approach based on a restricted open-shell ground state wave function.
    Roemelt M; Neese F
    J Phys Chem A; 2013 Apr; 117(14):3069-83. PubMed ID: 23510206
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Computation of determinant expansion coefficients within the graphically contracted function method.
    Gidofalvi G; Shepard R
    J Comput Chem; 2009 Nov; 30(15):2414-9. PubMed ID: 19360796
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Properties of nearly one-electron molecules. I. An iterative Green function approach to calculating the reaction matrix.
    Altunata SN; Coy SL; Field RW
    J Chem Phys; 2005 Aug; 123(8):084318. PubMed ID: 16164302
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Construction of CASCI-type wave functions for very large active spaces.
    Boguslawski K; Marti KH; Reiher M
    J Chem Phys; 2011 Jun; 134(22):224101. PubMed ID: 21682501
    [TBL] [Abstract][Full Text] [Related]  

  • 15. 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]  

  • 16. Comparison of the localization of an electron as determined by the two-particle distribution function and by the single-particle sharing index.
    Fulton RL
    J Phys Chem A; 2006 Nov; 110(44):12191-203. PubMed ID: 17078615
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Molecular structural formulas as one-electron density and hamiltonian operators: the VIF method extended.
    Alia JD
    J Phys Chem A; 2007 Mar; 111(12):2307-18. PubMed ID: 17388324
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Electronic excited-state energies from a linear response theory based on the ground-state two-electron reduced density matrix.
    Greenman L; Mazziotti DA
    J Chem Phys; 2008 Mar; 128(11):114109. PubMed ID: 18361556
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Open-shell molecular electronic states from the parametric two-electron reduced-density-matrix method.
    DePrince AE; Mazziotti DA
    J Chem Phys; 2009 Apr; 130(16):164109. PubMed ID: 19405563
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Calculating electron paramagnetic resonance g-matrices for triplet state molecules from multireference spin-orbit configuration interaction wave functions.
    Tatchen J; Kleinschmidt M; Marian CM
    J Chem Phys; 2009 Apr; 130(15):154106. PubMed ID: 19388735
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 18.