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Results: 1 to 20 of 110

1.

Perturbative approximations to single and double spin flip equation of motion coupled cluster singles doubles methods.

Dutta AK, Pal S, Ghosh D.

J Chem Phys. 2013 Sep 28;139(12):124116. doi: 10.1063/1.4821936.

PMID:
24089759
[PubMed]
2.

Double spin-flip approach within equation-of-motion coupled cluster and configuration interaction formalisms: Theory, implementation, and examples.

Casanova D, Slipchenko LV, Krylov AI, Head-Gordon M.

J Chem Phys. 2009 Jan 28;130(4):044103. doi: 10.1063/1.3066652.

PMID:
19191373
[PubMed]
3.
4.

Spin-conserving and spin-flipping equation-of-motion coupled-cluster method with triple excitations.

Slipchenko LV, Krylov AI.

J Chem Phys. 2005 Aug 22;123(8):084107.

PMID:
16164282
[PubMed]
5.

Different equation-of-motion coupled cluster methods with different reference functions: the formyl radical.

Kuś T, Bartlett RJ.

J Chem Phys. 2008 Sep 14;129(10):104301. doi: 10.1063/1.2975205.

PMID:
19044907
[PubMed]
6.

Improving upon the accuracy for doubly excited states within the coupled cluster singles and doubles theory.

Kuś T, Bartlett RJ.

J Chem Phys. 2009 Sep 28;131(12):124310. doi: 10.1063/1.3236843.

PMID:
19791884
[PubMed]
8.

Perturbative approximation to hybrid equation of motion coupled cluster/effective fragment potential method.

Ghosh D.

J Chem Phys. 2014 Mar 7;140(9):094101. doi: 10.1063/1.4866838.

PMID:
24606347
[PubMed - in process]
9.
10.

Equation-of-motion coupled-cluster method for ionized states with spin-orbit coupling.

Tu Z, Wang F, Li X.

J Chem Phys. 2012 May 7;136(17):174102. doi: 10.1063/1.4704894.

PMID:
22583205
[PubMed]
11.

Perturbative calculation of spin-orbit splittings using the equation-of-motion ionization-potential coupled-cluster ansatz.

Klein K, Gauss J.

J Chem Phys. 2008 Nov 21;129(19):194106. doi: 10.1063/1.3013199.

PMID:
19026044
[PubMed]
12.
13.

TD-CI simulation of the electronic optical response of molecules in intense fields: comparison of RPA, CIS, CIS(D), and EOM-CCSD.

Sonk JA, Caricato M, Schlegel HB.

J Phys Chem A. 2011 May 12;115(18):4678-90. doi: 10.1021/jp107384p. Epub 2011 Apr 15.

PMID:
21495664
[PubMed - indexed for MEDLINE]
14.

Benchmarking for perturbative triple-excitations in EE-EOM-CC methods.

Watson TJ Jr, Lotrich VF, Szalay PG, Perera A, Bartlett RJ.

J Phys Chem A. 2013 Mar 28;117(12):2569-79. doi: 10.1021/jp308634q. Epub 2013 Mar 13.

PMID:
23406329
[PubMed - indexed for MEDLINE]
15.

Effects of ethynyl substituents on the electronic structure of cyclobutadiene.

Thompson SJ, Emmert FL 3rd, Slipchenko LV.

J Phys Chem A. 2012 Mar 29;116(12):3194-201. doi: 10.1021/jp2099202. Epub 2012 Mar 12.

PMID:
22375728
[PubMed]
16.

Equation-of-motion coupled cluster perturbation theory revisited.

Eriksen JJ, Jørgensen P, Olsen J, Gauss J.

J Chem Phys. 2014 May 7;140(17):174114. doi: 10.1063/1.4873138.

PMID:
24811632
[PubMed - in process]
17.
18.
19.

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 28;134(4):044134. doi: 10.1063/1.3541250.

PMID:
21280714
[PubMed]
20.

Multireference Fock-space coupled-cluster and equation-of-motion coupled-cluster theories: the detailed interconnections.

Musial M, Bartlett RJ.

J Chem Phys. 2008 Oct 7;129(13):134105. doi: 10.1063/1.2982788.

PMID:
19045076
[PubMed]

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