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 *

370 related articles for article (PubMed ID: 21186857)

  • 1. A coupled cluster approach with a hybrid treatment of connected triple excitations: implementation and applications for open-shell systems.
    Shen J; Kou Z; Xu E; Li S
    J Chem Phys; 2010 Dec; 133(23):234106. PubMed ID: 21186857
    [TBL] [Abstract][Full Text] [Related]  

  • 2. The coupled cluster singles, doubles, and a hybrid treatment of connected triples based on the split virtual orbitals.
    Shen J; Kou Z; Xu E; Li S
    J Chem Phys; 2012 Jan; 136(4):044101. PubMed ID: 22299855
    [TBL] [Abstract][Full Text] [Related]  

  • 3. The coupled cluster approach with a hybrid treatment of connected triple excitations based on the restricted Hartree-Fock reference.
    Shen J; Kou Z; Xu E; Li S
    J Chem Phys; 2011 Jan; 134(4):044134. PubMed ID: 21280714
    [TBL] [Abstract][Full Text] [Related]  

  • 4. A coupled cluster approach with a hybrid treatment of connected triple excitations for bond-breaking potential energy surfaces.
    Shen J; Xu E; Kou Z; Li S
    J Chem Phys; 2010 Mar; 132(11):114115. PubMed ID: 20331289
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Coupled cluster with singles, doubles, and partial higher-order excitations based on the corresponding orbitals: the formulation and test applications for bond breaking processes.
    Xu E; Shen J; Kou Z; Li S
    J Chem Phys; 2010 Apr; 132(13):134110. PubMed ID: 20387924
    [TBL] [Abstract][Full Text] [Related]  

  • 6. New coupled cluster approaches based on the unrestricted Hartree-Fock reference for treating molecules with multireference character.
    Shen J; Xu E; Kou Z; Li S
    Phys Chem Chem Phys; 2011 May; 13(19):8795-804. PubMed ID: 21448471
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Hybrid coupled cluster methods based on the split virtual orbitals: barrier heights of reactions and spectroscopic constants of open-shell diatomic molecules.
    Kou Z; Shen J; Xu E; Li S
    J Phys Chem A; 2013 Jan; 117(3):626-32. PubMed ID: 23270485
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Coupled-cluster dynamic polarizabilities including triple excitations.
    Hammond JR; de Jong WA; Kowalski K
    J Chem Phys; 2008 Jun; 128(22):224102. PubMed ID: 18554001
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Different equation-of-motion coupled cluster methods with different reference functions: the formyl radical.
    Kuś T; Bartlett RJ
    J Chem Phys; 2008 Sep; 129(10):104301. PubMed ID: 19044907
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Critical comparison of various connected quadruple excitation approximations in the coupled-cluster treatment of bond breaking.
    Musiał M; Bartlett RJ
    J Chem Phys; 2005 Jun; 122(22):224102. PubMed ID: 15974646
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Simple coupled-cluster singles and doubles method with perturbative inclusion of triples and explicitly correlated geminals: The CCSD(T)R12 model.
    Valeev EF; Daniel Crawford T
    J Chem Phys; 2008 Jun; 128(24):244113. PubMed ID: 18601323
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Basis set and electron correlation effects on the polarizability and second hyperpolarizability of model open-shell pi-conjugated systems.
    Champagne B; Botek E; Nakano M; Nitta T; Yamaguchi K
    J Chem Phys; 2005 Mar; 122(11):114315. PubMed ID: 15839724
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Symmetric and asymmetric triple excitation corrections for the orbital-optimized coupled-cluster doubles method: improving upon CCSD(T) and CCSD(T)(Λ): preliminary application.
    Bozkaya U; Schaefer HF
    J Chem Phys; 2012 May; 136(20):204114. PubMed ID: 22667547
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Analytic energy gradients in closed-shell coupled-cluster theory with spin-orbit coupling.
    Wang F; Gauss J
    J Chem Phys; 2008 Nov; 129(17):174110. PubMed ID: 19045336
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Hybrid coupled cluster methods: combining active space coupled cluster methods with coupled cluster singles, doubles, and perturbative triples.
    Kou Z; Shen J; Xu E; Li S
    J Chem Phys; 2012 May; 136(19):194105. PubMed ID: 22612078
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Assessment of the accuracy of coupled cluster perturbation theory for open-shell systems. I. Triples expansions.
    Eriksen JJ; Matthews DA; Jørgensen P; Gauss J
    J Chem Phys; 2016 May; 144(19):194102. PubMed ID: 27208931
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Explicitly correlated combined coupled-cluster and perturbation methods.
    Shiozaki T; Valeev EF; Hirata S
    J Chem Phys; 2009 Jul; 131(4):044118. PubMed ID: 19655848
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Variational formulation of perturbative explicitly-correlated coupled-cluster methods.
    Torheyden M; Valeev EF
    Phys Chem Chem Phys; 2008 Jun; 10(23):3410-20. PubMed ID: 18535724
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Closed-shell coupled-cluster theory with spin-orbit coupling.
    Wang F; Gauss J; van Wüllen C
    J Chem Phys; 2008 Aug; 129(6):064113. PubMed ID: 18715057
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Reduced multireference coupled cluster method with singles and doubles: Perturbative corrections for triples.
    Li X; Paldus J
    J Chem Phys; 2006 May; 124(17):174101. PubMed ID: 16689561
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 19.