Publications by authors named "Josef Paldus"

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Multi-reference state-universal coupled-cluster approaches to electronically excited states.
Xiangzhu Li, Josef Paldus

J Chem Phys· June 2011

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Multireference coupled-cluster study of the symmetry breaking in the C2B radical.
Xiangzhu Li, Josef Paldus

J Chem Phys· February 2011

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Multireference general-model-space state-universal and state-specific coupled-cluster approaches to excited states.
Xiangzhu Li, Josef Paldus

J Chem Phys· November 2010

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A multireference coupled-cluster study of electronic excitations in furan and pyrrole.
Xiangzhu Li, Josef Paldus

J Phys Chem A· August 2010

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Performance of multireference and equation-of-motion coupled-cluster methods for potential energy surfaces of low-lying excited states: symmetric and asymmetric dissociation of water.
Xiangzhu Li, Josef Paldus

J Chem Phys· July 2010

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Force field of para- and metabenzyne diradicals: a multireference coupled-cluster study.
Xiangzhu Li, Josef Paldus

J Chem Phys· March 2010

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Accounting for the exact degeneracy and quasidegeneracy in the automerization of cyclobutadiene via multireference coupled-cluster methods.
Xiangzhu Li, Josef Paldus

J Chem Phys· September 2009

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Symmetry breaking in spin-restricted Hartree-Fock solutions: the case of the C2 molecule and the N(2)+ and F(2)+ cations.
Xiangzhu Li, Josef Paldus

Phys Chem Chem Phys· July 2009

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Computation of molecular vibrational frequencies using anomalous harmoniclike potentials.
Xiangzhu Li, Josef Paldus

J Chem Phys· July 2009

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Analysis and classification of symmetry breaking in linear ABA-type triatomics.
Xiangzhu Li, Josef Paldus

J Chem Phys· April 2009

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Do independent-particle-model broken-symmetry solutions contain more physics than the symmetry-adapted ones? The case of homonuclear diatomics.
Xiangzhu Li, Josef Paldus

J Chem Phys· February 2009

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Electronic structure of organic diradicals: Evaluation of the performance of coupled-cluster methods.
Xiangzhu Li, Josef Paldus

J Chem Phys· November 2008

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Full potential energy curve for N2 by the reduced multireference coupled-cluster method.
Xiangzhu Li, Josef Paldus

J Chem Phys· August 2008

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Partially linearized, fully size-extensive, and reduced multireference coupled-cluster methods. I. Formalism and mutual relationship.
Xiangzhu Li, Josef Paldus

J Chem Phys· April 2008

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Partially linearized, fully size-extensive, and reduced multireference coupled-cluster methods. II. Applications and performance.
Xiangzhu Li, Josef Paldus

J Chem Phys· April 2008

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Reduced multireference coupled-cluster method: barrier heights for heavy atom transfer, nucleophilic substitution, association, and unimolecular reactions.
Xiangzhu Li, Josef Paldus

J Phys Chem A· November 2007

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Real or artifactual symmetry breaking in the BNB radical: a multireference coupled cluster viewpoint.
Xiangzhu Li, Josef Paldus

J Chem Phys· June 2007

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Binding in transition metal complexes: Reduced multireference coupled-cluster study of the MCH2+ (M=Sc to Cu) compounds.
Xiangzhu Li, Josef Paldus

J Chem Phys· June 2007

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A truncated version of reduced multireference coupled-cluster method with singles and doubles and noniterative triples: application to F2 and Ni(CO)n (n=1, 2, and 4).
Xiangzhu Li, Josef Paldus

J Chem Phys· October 2006

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Reduced multireference coupled cluster method with singles and doubles: Perturbative corrections for triples.
Xiangzhu Li, Josef Paldus

J Chem Phys· May 2006

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General-model-space state-universal coupled-cluster methods for excited states: diagonal noniterative triple corrections.
Xiangzhu Li, Josef Paldus

J Chem Phys· January 2006

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Performance of the general-model-space state-universal coupled-cluster method.
Xiangzhu Li, Josef Paldus

J Chem Phys· April 2004

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