Accurately solving the electronic Schrödinger equation of small atoms and molecules using explicitly correlated (r12-)MR-CI. VIII. Valence excited states of methylene (CH2)

The Journal of Chemical Physics ◽

10.1063/1.2055207 ◽

2005 ◽

Vol 123 (14) ◽

pp. 144316 ◽

Author(s):

Jesús R. Flores ◽

Robert J. Gdanitz

Keyword(s):

Schrödinger Equation ◽

Excited States ◽

Schrodinger Equation ◽

Atoms And Molecules ◽

Explicitly Correlated

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Erratum to “Accurately solving the electronic Schrödinger equation of atoms and molecules using explicitly correlated (r12-) MR-CI: the ground state potential energy curve of N2”

Chemical Physics Letters ◽

10.1016/s0009-2614(98)00379-0 ◽

1998 ◽

Vol 288 (2-4) ◽

pp. 590-592 ◽

Author(s):

Robert J Gdanitz

Keyword(s):

Schrödinger Equation ◽

Potential Energy ◽

Ground State ◽

Schrodinger Equation ◽

Potential Energy Curve ◽

Energy Curve ◽

Atoms And Molecules ◽

Explicitly Correlated ◽

State Potential

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Accurately solving the electronic Schrödinger equation of atoms and molecules using explicitly correlated (r12-)MR-CI. VI. The helium dimer (He2) revisited

Molecular Physics ◽

10.1080/00268970010020609 ◽

2001 ◽

Vol 99 (11) ◽

pp. 923-930 ◽

Author(s):

ROBERT J. GDANITZ

Keyword(s):

Schrödinger Equation ◽

Schrodinger Equation ◽

Atoms And Molecules ◽

Explicitly Correlated

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Accurately solving the electronic Schrödinger equation of atoms and molecules using explicitly correlated (r12-)MR-CI. II. Ground-state energies of first-row atoms and positive atomic ions

The Journal of Chemical Physics ◽

10.1063/1.477649 ◽

1998 ◽

Vol 109 (22) ◽

pp. 9795-9801 ◽

Author(s):

Robert J. Gdanitz

Keyword(s):

Schrödinger Equation ◽

Ground State ◽

Schrodinger Equation ◽

Atomic Ions ◽

Atoms And Molecules ◽

Explicitly Correlated ◽

Ground State Energies

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Accurately solving the electronic Schrödinger equation of atoms and molecules using explicitly correlated (r12-)MR-CIIV. The helium dimer(He2)

Molecular Physics ◽

10.1080/00268979909483086 ◽

1999 ◽

Vol 96 (9) ◽

pp. 1423-1434 ◽

Author(s):

ROBERT J. GDANITZ

Keyword(s):

Schrödinger Equation ◽

Schrodinger Equation ◽

Atoms And Molecules ◽

Explicitly Correlated

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Accurately solving the electronic Schrödinger equation of atoms and molecules using explicitly correlated (r12-)MR-CI.

Chemical Physics Letters ◽

10.1016/s0009-2614(99)00985-9 ◽

1999 ◽

Vol 312 (5-6) ◽

pp. 578-584 ◽

Author(s):

Robert J. Gdanitz

Keyword(s):

Schrödinger Equation ◽

Schrodinger Equation ◽

Atoms And Molecules ◽

Explicitly Correlated

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Accurately solving the electronic Schrödinger equation of atoms and molecules using explicitly correlated (r12-) multireference configuration interaction. III. Electron affinities of first-row atoms

The Journal of Chemical Physics ◽

10.1063/1.478178 ◽

1999 ◽

Vol 110 (2) ◽

pp. 706-710 ◽

Author(s):

Robert J. Gdanitz

Keyword(s):

Schrödinger Equation ◽

Configuration Interaction ◽

Schrodinger Equation ◽

Electron Affinities ◽

Atoms And Molecules ◽

Explicitly Correlated

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Accurately solving the electronic Schrödinger equation of atoms and molecules using explicitly correlated (r12-) multireference configuration interaction. VII. The hydrogen fluoride molecule

The Journal of Chemical Physics ◽

10.1063/1.1949194 ◽

2005 ◽

Vol 123 (2) ◽

pp. 024304 ◽

Author(s):

Wim Cardoen ◽

Robert J. Gdanitz

Keyword(s):

Schrödinger Equation ◽

Hydrogen Fluoride ◽

Configuration Interaction ◽

Schrodinger Equation ◽

Atoms And Molecules ◽

Explicitly Correlated

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Accurately solving the electronic Schrödinger equation of atoms and molecules using explicitly correlated (r12-)MR-CI: the ground state potential energy curve of N2

Chemical Physics Letters ◽

10.1016/s0009-2614(97)01392-4 ◽

1998 ◽

Vol 283 (5-6) ◽

pp. 253-261 ◽

Author(s):

Robert J. Gdanitz

Keyword(s):

Schrödinger Equation ◽

Potential Energy ◽

Ground State ◽

Schrodinger Equation ◽

Potential Energy Curve ◽

Energy Curve ◽

Atoms And Molecules ◽

Explicitly Correlated ◽

State Potential

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Lower Bounds to Eigenvalues of the Schrödinger Equation. I. Formalism for Excited States

The Journal of Chemical Physics ◽

10.1063/1.1701554 ◽

1967 ◽

Vol 47 (10) ◽

pp. 3912-3919 ◽

Author(s):

Timothy M. Wilson

Keyword(s):

Schrödinger Equation ◽

Excited States ◽

Lower Bounds ◽

Schrodinger Equation

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Solving the Schrödinger Equation of Atoms and Molecules without Analytical Integration Based on the Free Iterative-Complement-Interaction Wave Function

Physical Review Letters ◽

10.1103/physrevlett.99.240402 ◽

2007 ◽

Vol 99 (24) ◽

Author(s):

H. Nakatsuji ◽

H. Nakashima ◽

Y. Kurokawa ◽

A. Ishikawa

Keyword(s):

Wave Function ◽

Schrödinger Equation ◽

Schrodinger Equation ◽

Atoms And Molecules ◽

Analytical Integration

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