(Q58687413)

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Formulation and implementation of a relativistic unrestricted coupled‐cluster method including noniterative connected triples

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Formulation and implementation of a relativistic unrestricted coupled‐cluster method including noniterative connected triples (English)

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Lucas Visscher

1

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author name string

Timothy J. Lee

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2

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Kenneth G. Dyall

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3

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language of work or name

English

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publication date

15 November 1996

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published in

Journal of Chemical Physics

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volume

105

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issue

19

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page(s)

8769-8776

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cites work

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The form of spin orbitals for open-shell restricted Hartree—Fock reference functions

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A fifth-order perturbation comparison of electron correlation theories

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Open‐shell restricted Hartree–Fock perturbation theory: Some considerations and comparisons

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On the energy invariance of open‐shell perturbation theory with respect to unitary transformations of molecular orbitals

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Open‐shell coupled‐cluster theory

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Relativistic quantum chemistry: the MOLFDIR program package

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Self-Consistent Field Theory for Open Shells of Electronic Systems

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Molecular open shell configuration interaction calculations using the Dirac–Coulomb Hamiltonian: The f 6‐manifold of an embedded EuO9−6 cluster

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An efficient closed-shell singles and doubles coupled-cluster method

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Gaussian basis sets for use in correlated molecular calculations. I. The atoms boron through neon and hydrogen

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Relativistic and correlation effects on molecular properties. I. The dihalogens F2, Cl2, Br2, I2, and At2

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Relativistic and correlation effects on molecular properties. II. The hydrogen halides HF, HCl, HBr, HI, and HAt

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10.1063/1.472655

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(Q58687413)

Formulation and implementation of a relativistic unrestricted coupled‐cluster method including noniterative connected triples

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