Recent Advances in Coupled-Cluster Methods - Recent Advances in Computational Chemistry
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9789810231125, 9789812819529

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UNITARY GROUP BASED COUPLED CLUSTER METHODS AND CALCULATION OF MOLECULAR PROPERTIES

Recent Advances in Coupled-Cluster Methods - Recent Advances in Computational Chemistry ◽

10.1142/9789812819529_0006 ◽

1997 ◽

pp. 183-219 ◽

Author(s):

Xiangzhu LI ◽

Josef PALDUS

Keyword(s):

Unitary Group ◽

Molecular Properties ◽

Coupled Cluster ◽

Coupled Cluster Methods ◽

Cluster Methods

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A STATE-SPECIFIC MULTI-REFERENCE COUPLED CLUSTER APPROACH FOR TREATING QUASI-DEGENERACY

Recent Advances in Coupled-Cluster Methods - Recent Advances in Computational Chemistry ◽

10.1142/9789812819529_0005 ◽

1997 ◽

pp. 155-181 ◽

Author(s):

UTTAM SINHA MAHAPATRA ◽

BARNALI DATTA ◽

DEBASHIS MUKHERJEE

Keyword(s):

Coupled Cluster ◽

Cluster Approach

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ANALYTIC COUPLED CLUSTER BASED RESPONSE APPROACH USING MULTIDETERMINANTAL MODEL SPACE

Recent Advances in Coupled-Cluster Methods - Recent Advances in Computational Chemistry ◽

10.1142/9789812819529_0008 ◽

1997 ◽

pp. 255-273

Author(s):

SOURAV PAL ◽

NAYANA VAVAL

Keyword(s):

Model Space ◽

Coupled Cluster

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TOWARDS STATE-SPECIFIC FORMULATION OF MULTIREFERENCE COUPLED-CLUSTER THEORY: COUPLED ELECTRON PAIR APPROXIMATIONS (CEPA) LEADING TO MULTIREFERENCE CONFIGURATION INTERACTION (MR-CI) TYPE EQUATIONS

Recent Advances in Coupled-Cluster Methods - Recent Advances in Computational Chemistry ◽

10.1142/9789812819529_0003 ◽

1997 ◽

pp. 81-123 ◽

Author(s):

PÉTER G. SZALAY

Keyword(s):

Configuration Interaction ◽

Electron Pair ◽

Coupled Cluster ◽

Coupled Cluster Theory ◽

Cluster Theory ◽

Specific Formulation

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SINGLE REFERENCE COUPLED CLUSTER AND PERTURBATION THEORIES OF ELECTRONIC EXCITATION ENERGIES

Recent Advances in Coupled-Cluster Methods - Recent Advances in Computational Chemistry ◽

10.1142/9789812819529_0007 ◽

1997 ◽

pp. 221-253 ◽

Author(s):

MARTIN HEAD-GORDON ◽

TIMOTHY J. LEE

Keyword(s):

Electronic Excitation ◽

Coupled Cluster ◽

Excitation Energies

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Analytic Evaluation of Second Derivatives of the Energy: Computational Strategies for the CCSD and CCSD(T) Approximations

Recent Advances in Coupled-Cluster Methods - Recent Advances in Computational Chemistry ◽

10.1142/9789812819529_0002 ◽

1997 ◽

pp. 49-79 ◽

Author(s):

John F. Stanton ◽

Jürgen Gauss

Keyword(s):

Analytic Evaluation ◽

Second Derivatives ◽

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SPIN ADAPTATIONS IN THE OPEN SHELL COUPLED CLUSTER THEORY WITH A SINGLE DETERMINANT RESTRICTED HARTREE-FOCK REFERENCE

Recent Advances in Coupled-Cluster Methods - Recent Advances in Computational Chemistry ◽

10.1142/9789812819529_0009 ◽

1997 ◽

pp. 275-306 ◽

Author(s):

Miroslav Urban ◽

Pavel Neogrády ◽

Ivan Hubač

Keyword(s):

Coupled Cluster ◽

Coupled Cluster Theory ◽

Cluster Theory ◽

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Multi–Reference Self–Consistent Size–Extensive Configuration Interaction (CI) - A Bridge Between The Coupled-Cluster Method And The CI Method

Recent Advances in Coupled-Cluster Methods - Recent Advances in Computational Chemistry ◽

10.1142/9789812819529_0010 ◽

1997 ◽

pp. 307-330

Author(s):

LUDWIK ADAMOWICZ ◽

JEAN-PAUL MALRIEU

Keyword(s):

Configuration Interaction ◽

Cluster Method ◽

Coupled Cluster ◽

Coupled Cluster Method ◽

Self Consistent

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CC-R12: AN EXPLICITLY CORRELATED COUPLED-CLUSTER THEORY

Recent Advances in Coupled-Cluster Methods - Recent Advances in Computational Chemistry ◽

10.1142/9789812819529_0001 ◽

1997 ◽

pp. 1-48 ◽

Author(s):

J. NOGA ◽

W. KLOPPER ◽

W. KUTZELNIGG

Keyword(s):

Coupled Cluster ◽

Coupled Cluster Theory ◽

Cluster Theory ◽

Explicitly Correlated

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FRONT MATTER

Recent Advances in Coupled-Cluster Methods - Recent Advances in Computational Chemistry ◽

10.1142/9789812819529_fmatter ◽

1997 ◽

pp. i-x

Author(s):

Rodney J. Bartlett

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