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Xiangzhu Li et al.
JOURNAL OF CHEMICAL PHYSICS (2008)
Higher excitations for an exponential multireference wavefunction Ansatz and single-reference based multireference coupled cluster Ansatz:: Application to model systems H4, P4, and BeH2
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A generalization of the state-specific complete-active-space coupled-cluster method for calculating electronic excited states
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Partially linearized, fully size-extensive, and reduced multireference coupled-cluster methods. II. Applications and performance
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Partially linearized, fully size-extensive, and reduced multireference coupled-cluster methods. I. Formalism and mutual relationship
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An exponential multi-reference wavefunction ansatz:: connectivity analysis and application to N2
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State-specific multireference complete-active-space coupled-cluster approach versus other quantum chemical methods: dissociation of the N-2 molecule
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MOLECULAR PHYSICS (2007)
What would be the most relevant transcription of a CCSD(T) method into a dressed SDCI matrix?
Jean-Louis Heully et al.
JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM (2006)
Initial applications of an exponential multi-reference wavefunction ansatz
M Hanrath
CHEMICAL PHYSICS LETTERS (2006)
General-model-space state-universal coupled-cluster methods for excited states: Diagonal noniterative triple corrections
XZ Li et al.
JOURNAL OF CHEMICAL PHYSICS (2006)
An exponential multireference wave-function Ansatz -: art. no. 084102
M Hanrath
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Coupled-cluster method tailored by configuration interaction
T Kinoshita et al.
JOURNAL OF CHEMICAL PHYSICS (2005)
Multi-reference Brillouin-Wigner coupled-cluster method with a general model space
J Pittner et al.
MOLECULAR PHYSICS (2005)
Implementation of the locally renormalized CCSD(T) approaches for arbitrary reference function
K Kowalski
JOURNAL OF CHEMICAL PHYSICS (2005)
Critical comparison of various connected quadruple excitation approximations in the coupled-cluster treatment of bond breaking
M Musial et al.
JOURNAL OF CHEMICAL PHYSICS (2005)
Molecular applications of the intermediate Hamiltonian Fock-space coupled-cluster method for calculation of excitation energies
M Musial et al.
JOURNAL OF CHEMICAL PHYSICS (2005)
Extensive generalization of renormalized coupled-cluster methods
K Kowalski et al.
JOURNAL OF CHEMICAL PHYSICS (2005)
Automated generation of coupled-cluster diagrams: Implementation in the multireference state-specific coupled-cluster approach with the complete-active-space reference
DI Lyakh et al.
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State-of-the-art density matrix renormalization group and coupled cluster theory studies of the nitrogen binding curve
GKL Chan et al.
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Coupled-cluster connected quadruples and quintuples corrections to the harmonic vibrational frequencies and equilibrium bond distances of HF, N2, F2, and CO
TA Ruden et al.
JOURNAL OF CHEMICAL PHYSICS (2004)
MOLCAS:: a program package for computational chemistry
G Karlström et al.
COMPUTATIONAL MATERIALS SCIENCE (2003)
General-model-space state-universal coupled-cluster theory: Connectivity conditions and explicit equations
XZ Li et al.
JOURNAL OF CHEMICAL PHYSICS (2003)
The general-model-space state-universal coupled-cluster method exemplified by the LiH molecule
XZ Li et al.
JOURNAL OF CHEMICAL PHYSICS (2003)
Continuous transition between Brillouin-Wigner and Rayleigh-Schrodinger perturbation theory, generalized Bloch equation, and Hilbert space multireference coupled cluster
J Pittner
JOURNAL OF CHEMICAL PHYSICS (2003)
A general state-selective multireference coupled-cluster algorithm
M Kállay et al.
JOURNAL OF CHEMICAL PHYSICS (2002)
Extension of the method of moments of coupled-cluster equations to excited states: The triples and quadruples corrections to the equation-of-motion coupled-cluster singles and doubles energies
K Kowalski et al.
JOURNAL OF CHEMICAL PHYSICS (2002)
Excited-state potential energy curves of CH+:: a comparison of the EOMCCSDt and full EOMCCSDT results
K Kowalski et al.
CHEMICAL PHYSICS LETTERS (2001)
A general coupled cluster study of the N2 molecule
JW Krogh et al.
CHEMICAL PHYSICS LETTERS (2001)
A comparison of the renormalized and active-space coupled-cluster methods:: Potential energy curves of BH and F2
K Kowalski et al.
CHEMICAL PHYSICS LETTERS (2001)
Can ordinary single-reference coupled-cluster methods describe the potential energy curve of N2?: The renormalized CCSDT(Q) study
P Piecuch et al.
CHEMICAL PHYSICS LETTERS (2001)
New type of noniterative energy corrections for excited electronic states: Extension of the method of moments of coupled-cluster equations to the equation-of-motion coupled-cluster formalism
K Kowalski et al.
JOURNAL OF CHEMICAL PHYSICS (2001)
Triplet excitation energies in full configuration interaction and coupled-cluster theory
H Larsen et al.
JOURNAL OF CHEMICAL PHYSICS (2001)
Reduced multireference coupled cluster method:: Ro-vibrational spectra of N2
XZ Li et al.
JOURNAL OF CHEMICAL PHYSICS (2000)
The active-space equation-of-motion coupled-cluster methods for excited electronic states: The EOMCCSDt approach
K Kowalski et al.
JOURNAL OF CHEMICAL PHYSICS (2000)
Full configuration interaction benchmarking of coupled-cluster models for the lowest singlet energy surfaces of N2
H Larsen et al.
JOURNAL OF CHEMICAL PHYSICS (2000)
The method of moments of coupled-cluster equations and the renormalized CCSD[T], CCSD(T), CCSD(TQ), and CCSDT(Q) approaches
K Kowalski et al.
JOURNAL OF CHEMICAL PHYSICS (2000)
Size-extensivity correction for the state-specific multireference Brillouin-Wigner coupled-cluster theory
I Hubac et al.
JOURNAL OF CHEMICAL PHYSICS (2000)
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