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: 26574445)

  • 1. Orbital Energies for Seniority-Zero Wave Functions.
    Limacher PA
    J Chem Theory Comput; 2015 Aug; 11(8):3629-35. PubMed ID: 26574445
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Koopmans' theorem in the ROHF method: canonical form for the Hartree-Fock Hamiltonian.
    Plakhutin BN; Gorelik EV; Breslavskaya NN
    J Chem Phys; 2006 Nov; 125(20):204110. PubMed ID: 17144693
    [TBL] [Abstract][Full Text] [Related]  

  • 3. The extended Koopmans' theorem for orbital-optimized methods: accurate computation of ionization potentials.
    Bozkaya U
    J Chem Phys; 2013 Oct; 139(15):154105. PubMed ID: 24160498
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Seniority zero pair coupled cluster doubles theory.
    Stein T; Henderson TM; Scuseria GE
    J Chem Phys; 2014 Jun; 140(21):214113. PubMed ID: 24907996
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Second order explicitly correlated R12 theory revisited: a second quantization framework for treatment of the operators' partitionings.
    Noga J; Kedzuch S; Simunek J
    J Chem Phys; 2007 Jul; 127(3):034106. PubMed ID: 17655430
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Koopmans' theorem in the restricted open-shell Hartree-Fock method. 1. A variational approach.
    Plakhutin BN; Davidson ER
    J Phys Chem A; 2009 Nov; 113(45):12386-95. PubMed ID: 19459641
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Assessment of the extended Koopmans' theorem for the chemical reactivity: Accurate computations of chemical potentials, chemical hardnesses, and electrophilicity indices.
    Yildiz D; Bozkaya U
    J Comput Chem; 2016 Jan; 37(3):345-53. PubMed ID: 26458329
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Correlated one-body potential from second-order Møller-Plesset perturbation theory: alternative to orbital-optimized MP2 method.
    Lan TN; Yanai T
    J Chem Phys; 2013 Jun; 138(22):224108. PubMed ID: 23781784
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Long-range corrected functionals satisfy Koopmans' theorem: calculation of correlation and relaxation energies.
    Kar R; Song JW; Hirao K
    J Comput Chem; 2013 Apr; 34(11):958-64. PubMed ID: 23299544
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Polynomial scaling approximations and dynamic correlation corrections to doubly occupied configuration interaction wave functions.
    Van Raemdonck M; Alcoba DR; Poelmans W; De Baerdemacker S; Torre A; Lain L; Massaccesi GE; Van Neck D; Bultinck P
    J Chem Phys; 2015 Sep; 143(10):104106. PubMed ID: 26374017
    [TBL] [Abstract][Full Text] [Related]  

  • 11. General orbital invariant MP2-F12 theory.
    Werner HJ; Adler TB; Manby FR
    J Chem Phys; 2007 Apr; 126(16):164102. PubMed ID: 17477584
    [TBL] [Abstract][Full Text] [Related]  

  • 12. A well-scaling natural orbital theory.
    Gebauer R; Cohen MH; Car R
    Proc Natl Acad Sci U S A; 2016 Nov; 113(46):12913-12918. PubMed ID: 27803328
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Extended Koopmans' theorem at the second-order perturbation theory.
    Gu Y; Xu X
    J Comput Chem; 2020 May; 41(12):1165-1174. PubMed ID: 32003902
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Benchmark of Dynamic Electron Correlation Models for Seniority-Zero Wave Functions and Their Application to Thermochemistry.
    Boguslawski K; Tecmer P
    J Chem Theory Comput; 2017 Dec; 13(12):5966-5983. PubMed ID: 28921980
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Seniority and orbital symmetry as tools for establishing a full configuration interaction hierarchy.
    Bytautas L; Henderson TM; Jiménez-Hoyos CA; Ellis JK; Scuseria GE
    J Chem Phys; 2011 Jul; 135(4):044119. PubMed ID: 21806102
    [TBL] [Abstract][Full Text] [Related]  

  • 16. First-principles redox energy estimates under the condition of satisfying the general form of Koopmans' theorem: An atomistic study of aqueous iron.
    Shirani J; Farraj SA; Yuan S; Bevan KH
    J Chem Phys; 2022 Nov; 157(18):184110. PubMed ID: 36379797
    [TBL] [Abstract][Full Text] [Related]  

  • 17. 4-Component relativistic calculations of L3 ionization and excitations for the isoelectronic species UO2(2+), OUN(+) and UN2.
    South C; Shee A; Mukherjee D; Wilson AK; Saue T
    Phys Chem Chem Phys; 2016 Aug; 18(31):21010-23. PubMed ID: 26878601
    [TBL] [Abstract][Full Text] [Related]  

  • 18. The Kohn-Sham gap, the fundamental gap and the optical gap: the physical meaning of occupied and virtual Kohn-Sham orbital energies.
    Baerends EJ; Gritsenko OV; van Meer R
    Phys Chem Chem Phys; 2013 Oct; 15(39):16408-25. PubMed ID: 24002107
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Second-Order Perturbation Theory with Spin-Symmetry-Projected Hartree-Fock.
    Tsuchimochi T; Ten-No SL
    J Chem Theory Comput; 2019 Dec; 15(12):6688-6702. PubMed ID: 31661264
    [TBL] [Abstract][Full Text] [Related]  

  • 20. 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]  

    [Next]    [New Search]
    of 9.