493 related articles for article (PubMed ID: 21054016)
1. Explicitly correlated coupled-cluster theory using cusp conditions. I. Perturbation analysis of coupled-cluster singles and doubles (CCSD-F12).
Köhn A; Tew DP
J Chem Phys; 2010 Nov; 133(17):174117. PubMed ID: 21054016
[TBL] [Abstract][Full Text] [Related]
2. Explicitly correlated coupled-cluster theory using cusp conditions. II. Treatment of connected triple excitations.
Köhn A
J Chem Phys; 2010 Nov; 133(17):174118. PubMed ID: 21054017
[TBL] [Abstract][Full Text] [Related]
3. On the accuracy of explicitly correlated coupled-cluster interaction energies--have orbital results been beaten yet?
Patkowski K
J Chem Phys; 2012 Jul; 137(3):034103. PubMed ID: 22830679
[TBL] [Abstract][Full Text] [Related]
4. 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]
5. Extrapolating MP2 and CCSD explicitly correlated correlation energies to the complete basis set limit with first and second row correlation consistent basis sets.
Hill JG; Peterson KA; Knizia G; Werner HJ
J Chem Phys; 2009 Nov; 131(19):194105. PubMed ID: 19929044
[TBL] [Abstract][Full Text] [Related]
6. Coupled-cluster methods with perturbative inclusion of explicitly correlated terms: a preliminary investigation.
Valeev EF
Phys Chem Chem Phys; 2008 Jan; 10(1):106-13. PubMed ID: 18075688
[TBL] [Abstract][Full Text] [Related]
7. Implementation of the full explicitly correlated coupled-cluster singles and doubles model CCSD-F12 with optimally reduced auxiliary basis dependence.
Köhn A; Richings GW; Tew DP
J Chem Phys; 2008 Nov; 129(20):201103. PubMed ID: 19045845
[TBL] [Abstract][Full Text] [Related]
8. Implementation of the CCSD(T)-F12 method using cusp conditions.
Bokhan D; Ten-no S; Noga J
Phys Chem Chem Phys; 2008 Jun; 10(23):3320-6. PubMed ID: 18535713
[TBL] [Abstract][Full Text] [Related]
9. Explicitly correlated coupled-cluster singles and doubles method based on complete diagrammatic equations.
Shiozaki T; Kamiya M; Hirata S; Valeev EF
J Chem Phys; 2008 Aug; 129(7):071101. PubMed ID: 19044752
[TBL] [Abstract][Full Text] [Related]
10. Communications: Accurate and efficient approximations to explicitly correlated coupled-cluster singles and doubles, CCSD-F12.
Hättig C; Tew DP; Köhn A
J Chem Phys; 2010 Jun; 132(23):231102. PubMed ID: 20572681
[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. Structures and harmonic vibrational frequencies for excited states of diatomic molecules with CCSD(R12) and CCSD(F12) models.
Yang J; Hättig C
J Chem Phys; 2009 Mar; 130(12):124101. PubMed ID: 19334802
[TBL] [Abstract][Full Text] [Related]
13. Highly accurate CCSD(R12) and CCSD(F12) optical response properties using standard triple-zeta basis sets.
Yang J; Hättig C
J Chem Phys; 2009 Aug; 131(7):074102. PubMed ID: 19708727
[TBL] [Abstract][Full Text] [Related]
14. Towards the Hartree-Fock and coupled-cluster singles and doubles basis set limit: A study of various models that employ single excitations into a complementary auxiliary basis set.
Köhn A; Tew DP
J Chem Phys; 2010 Jan; 132(2):024101. PubMed ID: 20095657
[TBL] [Abstract][Full Text] [Related]
15. Slater-type geminals in explicitly-correlated perturbation theory: application to n-alkanols and analysis of errors and basis-set requirements.
Höfener S; Bischoff FA; Glöss A; Klopper W
Phys Chem Chem Phys; 2008 Jun; 10(23):3390-9. PubMed ID: 18535722
[TBL] [Abstract][Full Text] [Related]
16. Explicit correlation and basis set superposition error: the structure and energy of carbon dioxide dimer.
McMahon JD; Lane JR
J Chem Phys; 2011 Oct; 135(15):154309. PubMed ID: 22029315
[TBL] [Abstract][Full Text] [Related]
17. 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]
18. Explicit correlation and intermolecular interactions: investigating carbon dioxide complexes with the CCSD(T)-F12 method.
de Lange KM; Lane JR
J Chem Phys; 2011 Jan; 134(3):034301. PubMed ID: 21261347
[TBL] [Abstract][Full Text] [Related]
19. Explicitly correlated connected triple excitations in coupled-cluster theory.
Köhn A
J Chem Phys; 2009 Apr; 130(13):131101. PubMed ID: 19355710
[TBL] [Abstract][Full Text] [Related]
20. XH-stretching overtone transitions calculated using explicitly correlated coupled cluster methods.
Lane JR; Kjaergaard HG
J Chem Phys; 2010 May; 132(17):174304. PubMed ID: 20459166
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]