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 *

169 related articles for article (PubMed ID: 23126698)

  • 1. Restricted active space spin-flip configuration interaction: theory and examples for multiple spin flips with odd numbers of electrons.
    Zimmerman PM; Bell F; Goldey M; Bell AT; Head-Gordon M
    J Chem Phys; 2012 Oct; 137(16):164110. PubMed ID: 23126698
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Restricted active space spin-flip (RAS-SF) with arbitrary number of spin-flips.
    Bell F; Zimmerman PM; Casanova D; Goldey M; Head-Gordon M
    Phys Chem Chem Phys; 2013 Jan; 15(1):358-66. PubMed ID: 23169047
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Increasing spin-flips and decreasing cost: Perturbative corrections for external singles to the complete active space spin flip model for low-lying excited states and strong correlation.
    Mayhall NJ; Head-Gordon M
    J Chem Phys; 2014 Jul; 141(4):044112. PubMed ID: 25084886
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Restricted active space spin-flip configuration interaction approach: theory, implementation and examples.
    Casanova D; Head-Gordon M
    Phys Chem Chem Phys; 2009 Nov; 11(42):9779-90. PubMed ID: 19851557
    [TBL] [Abstract][Full Text] [Related]  

  • 5. A Quasidegenerate Second-Order Perturbation Theory Approximation to RAS-nSF for Excited States and Strong Correlations.
    Mayhall NJ; Goldey M; Head-Gordon M
    J Chem Theory Comput; 2014 Feb; 10(2):589-99. PubMed ID: 26580035
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Avoided crossings, conical intersections, and low-lying excited states with a single reference method: the restricted active space spin-flip configuration interaction approach.
    Casanova D
    J Chem Phys; 2012 Aug; 137(8):084105. PubMed ID: 22938216
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Double spin-flip approach within equation-of-motion coupled cluster and configuration interaction formalisms: Theory, implementation, and examples.
    Casanova D; Slipchenko LV; Krylov AI; Head-Gordon M
    J Chem Phys; 2009 Jan; 130(4):044103. PubMed ID: 19191373
    [TBL] [Abstract][Full Text] [Related]  

  • 8. The spin-flip extended single excitation configuration interaction method.
    Casanova D; Head-Gordon M
    J Chem Phys; 2008 Aug; 129(6):064104. PubMed ID: 18715048
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Recovering dynamic correlation in spin flip configuration interaction through a difference dedicated approach.
    Chien AD; Zimmerman PM
    J Chem Phys; 2017 Jan; 146(1):014103. PubMed ID: 28063440
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Spin-flip equation-of-motion coupled-cluster electronic structure method for a description of excited states, bond breaking, diradicals, and triradicals.
    Krylov AI
    Acc Chem Res; 2006 Feb; 39(2):83-91. PubMed ID: 16489727
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Efficient implementation of restricted active space configuration interaction with the hole and particle approximation.
    Casanova D
    J Comput Chem; 2013 Apr; 34(9):720-30. PubMed ID: 23224785
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Spin-flip non-orthogonal configuration interaction: a variational and almost black-box method for describing strongly correlated molecules.
    Mayhall NJ; Horn PR; Sundstrom EJ; Head-Gordon M
    Phys Chem Chem Phys; 2014 Nov; 16(41):22694-705. PubMed ID: 25233435
    [TBL] [Abstract][Full Text] [Related]  

  • 13. The spin-polarized extended Brueckner orbitals.
    Luzanov AV; Prezhdo OV
    J Chem Phys; 2011 Sep; 135(9):094107. PubMed ID: 21913753
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Perturbative approximations to single and double spin flip equation of motion coupled cluster singles doubles methods.
    Dutta AK; Pal S; Ghosh D
    J Chem Phys; 2013 Sep; 139(12):124116. PubMed ID: 24089759
    [TBL] [Abstract][Full Text] [Related]  

  • 15. 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]  

  • 16. A general spin-complete spin-flip configuration interaction method.
    Mato J; Gordon MS
    Phys Chem Chem Phys; 2018 Jan; 20(4):2615-2626. PubMed ID: 29319079
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Spin-flip time dependent density functional theory applied to excited states with single, double, or mixed electron excitation character.
    Rinkevicius Z; Vahtras O; Agren H
    J Chem Phys; 2010 Sep; 133(11):114104. PubMed ID: 20866123
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Spin-flip configuration interaction singles with exact spin-projection: Theory and applications to strongly correlated systems.
    Tsuchimochi T
    J Chem Phys; 2015 Oct; 143(14):144114. PubMed ID: 26472370
    [TBL] [Abstract][Full Text] [Related]  

  • 19. A theoretical study of the excited states of AmO2n+, n=1,2,3.
    Notter FP; Dubillard S; Bolvin H
    J Chem Phys; 2008 Apr; 128(16):164315. PubMed ID: 18447447
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Spin-coupled theory for 'N electrons in M orbitals' active spaces.
    Karadakov PB; Cooper DL; Duke BJ; Li J
    J Phys Chem A; 2012 Jul; 116(26):7238-44. PubMed ID: 22690866
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 9.