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 *

143 related articles for article (PubMed ID: 26633204)

  • 1. CASCI Reference Wave Functions for Multireference Perturbation Theory Built from Hartree-Fock or Kohn-Sham Orbitals.
    Robinson D; McDouall JJ
    J Chem Theory Comput; 2007 Jul; 3(4):1306-11. PubMed ID: 26633204
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Simplified reference wave functions for multireference perturbation theory.
    Robinson D; McDouall JJ
    J Phys Chem A; 2007 Oct; 111(39):9815-22. PubMed ID: 17727273
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Efficient Implementation of the Second-Order Quasidegenerate Perturbation Theory with Density-Fitting and Cholesky Decomposition Approximations: Is It Possible To Use Hartree-Fock Orbitals for a Multiconfigurational Perturbation Theory?
    Bozkaya U
    J Chem Theory Comput; 2019 Aug; 15(8):4415-4429. PubMed ID: 31318552
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Geometry optimization of radicaloid systems using improved virtual orbital-complete active space configuration interaction (IVO-CASCI) analytical gradient method.
    Chattopadhyay S; Chaudhuri RK; Freed KF
    J Phys Chem A; 2011 Apr; 115(16):3665-78. PubMed ID: 20586459
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Automatic Active Space Selection for Calculating Electronic Excitation Energies Based on High-Spin Unrestricted Hartree-Fock Orbitals.
    Bao JJ; Truhlar DG
    J Chem Theory Comput; 2019 Oct; 15(10):5308-5318. PubMed ID: 31411880
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Configuration interaction singles natural orbitals: an orbital basis for an efficient and size intensive multireference description of electronic excited states.
    Shu Y; Hohenstein EG; Levine BG
    J Chem Phys; 2015 Jan; 142(2):024102. PubMed ID: 25591333
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Use of density functional theory orbitals in the GVVPT2 variant of second-order multistate multireference perturbation theory.
    Hoffmann MR; Helgaker T
    J Phys Chem A; 2015 Mar; 119(9):1548-53. PubMed ID: 25229307
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Improved virtual orbitals in state specific multireference perturbation theory for prototypes of quasidegenerate electronic structure.
    Sinha Ray S; Ghosh P; Chaudhuri RK; Chattopadhyay S
    J Chem Phys; 2017 Feb; 146(6):064111. PubMed ID: 28201907
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Multireference second order perturbation theory with a simplified treatment of dynamical correlation.
    Xu E; Zhao D; Li S
    J Chem Theory Comput; 2015 Oct; 11(10):4634-43. PubMed ID: 26574254
    [TBL] [Abstract][Full Text] [Related]  

  • 10. State-specific multireference perturbation theory with improved virtual orbitals: taming the ground state of F2 , Be2, and N2.
    Chattopadhyay S; Chaudhuri RK; Mahapatra US
    J Comput Chem; 2015 May; 36(12):907-25. PubMed ID: 25740004
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Localization of molecular orbitals on fragments.
    Sax AF
    J Comput Chem; 2012 Jun; 33(17):1495-510. PubMed ID: 22522607
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Elucidating the molecular orbital dependence of the total electronic energy in multireference problems.
    Boyn JN; Mazziotti DA
    J Chem Phys; 2022 May; 156(19):194104. PubMed ID: 35597644
    [TBL] [Abstract][Full Text] [Related]  

  • 13. CAS without SCF-Why to use CASCI and where to get the orbitals.
    Levine BG; Durden AS; Esch MP; Liang F; Shu Y
    J Chem Phys; 2021 Mar; 154(9):090902. PubMed ID: 33685182
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Aspects of Size-Consistency of Orbitally Noninvariant Size-Extensive Multireference Perturbation Theories: A Case Study Using UGA-SSMRPT2 as a Prototype.
    Sen A; Sen S; Mukherjee D
    J Chem Theory Comput; 2015 Sep; 11(9):4129-45. PubMed ID: 26575908
    [TBL] [Abstract][Full Text] [Related]  

  • 15. A Single Reference Perturbation Theory beyond the Møller-Plesset Partition.
    Chen F
    J Chem Theory Comput; 2009 Apr; 5(4):931-6. PubMed ID: 26609602
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Role of Hartree-Fock and Kohn-Sham orbitals in the basis set superposition error for systems linked by hydrogen bonds.
    Garza J; Ramírez JZ; Vargas R
    J Phys Chem A; 2005 Feb; 109(4):643-51. PubMed ID: 16833391
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Multireference Model Chemistries for Thermochemical Kinetics.
    Tishchenko O; Zheng J; Truhlar DG
    J Chem Theory Comput; 2008 Aug; 4(8):1208-19. PubMed ID: 26631697
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Multireference second-order perturbation theory: how size consistent is "almost size consistent".
    Rintelman JM; Adamovic I; Varganov S; Gordon MS
    J Chem Phys; 2005 Jan; 122(4):44105. PubMed ID: 15740233
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Prediction of electronic structure of organic radicaloid anions using efficient, economical multireference gradient approach.
    Chattopadhyay S; Chaudhuri RK; Freed KF
    Phys Chem Chem Phys; 2011 Apr; 13(16):7514-23. PubMed ID: 21423953
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Molecular applications of analytical gradient approach for the improved virtual orbital-complete active space configuration interaction method.
    Chaudhuri RK; Chattopadhyay S; Mahapatra US; Freed KF
    J Chem Phys; 2010 Jan; 132(3):034105. PubMed ID: 20095726
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 8.