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 *

230 related articles for article (PubMed ID: 15638573)

  • 1. Automated generation of coupled-cluster diagrams: implementation in the multireference state-specific coupled-cluster approach with the complete-active-space reference.
    Lyakh DI; Ivanov VV; Adamowicz L
    J Chem Phys; 2005 Jan; 122(2):024108. PubMed ID: 15638573
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Excited states in the multireference state-specific coupled-cluster theory with the complete active space reference.
    Ivanov VV; Adamowicz L; Lyakh DI
    J Chem Phys; 2006 May; 124(18):184302. PubMed ID: 16709101
    [TBL] [Abstract][Full Text] [Related]  

  • 3. High-order excitations in state-universal and state-specific multireference coupled cluster theories: model systems.
    Evangelista FA; Allen WD; Schaefer HF
    J Chem Phys; 2006 Oct; 125(15):154113. PubMed ID: 17059245
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Full implementation and benchmark studies of Mukherjee's state-specific multireference coupled-cluster ansatz.
    Das S; Mukherjee D; Kállay M
    J Chem Phys; 2010 Feb; 132(7):074103. PubMed ID: 20170211
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Block correlated coupled cluster theory with a complete active-space self-consistent-field reference function: the formulation and test applications for single bond breaking.
    Fang T; Li S
    J Chem Phys; 2007 Nov; 127(20):204108. PubMed ID: 18052420
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Block correlated coupled cluster method with a complete-active-space self-consistent-field reference function: the formula for general active spaces and its applications for multibond breaking systems.
    Fang T; Shen J; Li S
    J Chem Phys; 2008 Jun; 128(22):224107. PubMed ID: 18554006
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Coupling term derivation and general implementation of state-specific multireference coupled cluster theories.
    Evangelista FA; Allen WD; Schaefer HF
    J Chem Phys; 2007 Jul; 127(2):024102. PubMed ID: 17640114
    [TBL] [Abstract][Full Text] [Related]  

  • 8. A generalization of the state-specific complete-active-space coupled-cluster method for calculating electronic excited states.
    Lyakh DI; Ivanov VV; Adamowicz L
    J Chem Phys; 2008 Feb; 128(7):074101. PubMed ID: 18298134
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Calculation of excited-state properties using general coupled-cluster and configuration-interaction models.
    Kállay M; Gauss J
    J Chem Phys; 2004 Nov; 121(19):9257-69. PubMed ID: 15538846
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Block correlated coupled cluster method with a complete-active-space self-consistent-field reference function: the implementation for low-lying excited states.
    Fang T; Shen J; Li S
    J Chem Phys; 2008 Dec; 129(23):234106. PubMed ID: 19102525
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Analytic gradients for the state-specific multireference coupled cluster singles and doubles model.
    Prochnow E; Evangelista FA; Schaefer HF; Allen WD; Gauss J
    J Chem Phys; 2009 Aug; 131(6):064109. PubMed ID: 19691380
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Approximate treatment of higher excitations in coupled-cluster theory.
    Kállay M; Gauss J
    J Chem Phys; 2005 Dec; 123(21):214105. PubMed ID: 16356037
    [TBL] [Abstract][Full Text] [Related]  

  • 13. The spin-free analogue of Mukherjee's state-specific multireference coupled cluster theory.
    Datta D; Mukherjee D
    J Chem Phys; 2011 Feb; 134(5):054122. PubMed ID: 21303107
    [TBL] [Abstract][Full Text] [Related]  

  • 14. State specific equation of motion coupled cluster method in general active space.
    Kong L; Shamasundar KR; Demel O; Nooijen M
    J Chem Phys; 2009 Mar; 130(11):114101. PubMed ID: 19317525
    [TBL] [Abstract][Full Text] [Related]  

  • 15. 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]  

  • 16. Coupled-cluster with active space selected higher amplitudes: performance of seminatural orbitals for ground and excited state calculations.
    Köhn A; Olsen J
    J Chem Phys; 2006 Nov; 125(17):174110. PubMed ID: 17100432
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Insights into the orbital invariance problem in state-specific multireference coupled cluster theory.
    Evangelista FA; Gauss J
    J Chem Phys; 2010 Jul; 133(4):044101. PubMed ID: 20687627
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Calculation of electronic g-tensors using coupled cluster theory.
    Gauss J; Kállay M; Neese F
    J Phys Chem A; 2009 Oct; 113(43):11541-9. PubMed ID: 19848425
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Dissociation of ground and nsigma* states of CF3Cl using multireference configuration interaction with singles and doubles and with multireference average quadratic coupled cluster extensivity corrections.
    Lucena JR; Ventura E; do Monte SA; Araújo RC; Ramos MN; Fausto R
    J Chem Phys; 2007 Oct; 127(16):164320. PubMed ID: 17979351
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Alternative single-reference coupled cluster approaches for multireference problems: the simpler, the better.
    Evangelista FA
    J Chem Phys; 2011 Jun; 134(22):224102. PubMed ID: 21682502
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 12.