Natural Orbitals for Hydrogen‐Molecule Excited States

Stephen Rothenberg; Ernest R. Davidson

doi:10.1063/1.1727976

Natural Orbitals for Hydrogen‐Molecule Excited States

The Journal of Chemical Physics ◽

10.1063/1.1727976 ◽

1966 ◽

Vol 45 (7) ◽

pp. 2560-2576 ◽

Cited By ~ 97

Author(s):

Stephen Rothenberg ◽

Ernest R. Davidson

Keyword(s):

Excited States ◽

Hydrogen Molecule ◽

Natural Orbitals

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Some Excited States of the Hydrogen Molecule. I. 1Πu(1s2pΠ) and 3Πu(1s2pΠ)

The Journal of Chemical Physics ◽

10.1063/1.1724891 ◽

1964 ◽

Vol 40 (1) ◽

pp. 43-46 ◽

Cited By ~ 52

Author(s):

J. C. Browne

Keyword(s):

Excited States ◽

Hydrogen Molecule

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Density Relaxation in Time-Dependent Density Functional Theory: Combining Relaxed Density Natural Orbitals and Multireference Perturbation Theories for an Improved Description of Excited States

Journal of Chemical Theory and Computation ◽

10.1021/ct5004675 ◽

2014 ◽

Vol 10 (9) ◽

pp. 4014-4024 ◽

Cited By ~ 29

Author(s):

Enrico Ronca ◽

Celestino Angeli ◽

Leonardo Belpassi ◽

Filippo De Angelis ◽

Francesco Tarantelli ◽

...

Keyword(s):

Density Functional Theory ◽

Excited States ◽

Density Functional ◽

Time Dependent ◽

Functional Theory ◽

Natural Orbitals ◽

Dependent Density

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State-Averaged Pair Natural Orbitals for Excited States: A Route toward Efficient Equation of Motion Coupled-Cluster

Journal of Chemical Theory and Computation ◽

10.1021/acs.jctc.8b00171 ◽

2018 ◽

Vol 14 (11) ◽

pp. 5597-5607 ◽

Cited By ~ 13

Author(s):

Chong Peng ◽

Marjory C. Clement ◽

Edward F. Valeev

Keyword(s):

Excited States ◽

Equation Of Motion ◽

Coupled Cluster ◽

Natural Orbitals

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Configuration interaction singles natural orbitals: An orbital basis for an efficient and size intensive multireference description of electronic excited states

The Journal of Chemical Physics ◽

10.1063/1.4905124 ◽

2015 ◽

Vol 142 (2) ◽

pp. 024102 ◽

Cited By ~ 35

Author(s):

Yinan Shu ◽

Edward G. Hohenstein ◽

Benjamin G. Levine

Keyword(s):

Excited States ◽

Configuration Interaction ◽

Natural Orbitals ◽

Electronic Excited States ◽

Orbital Basis

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Low-Lying Excited States of the Hydrogen Molecule in Cylindrical Harmonic Confinement

Advances in Quantum Chemistry ◽

10.1016/s0065-3276(05)48006-5 ◽

2005 ◽

pp. 59-89 ◽

Cited By ~ 30

Author(s):

John M.H. Lo ◽

Mariusz Klobukowski ◽

Geerd H.F. Diercksen

Keyword(s):

Excited States ◽

Hydrogen Molecule ◽

Harmonic Confinement

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Many-body calculations of the hyperfine interaction of some excited states of alkali atoms, using approximate Brueckner or natural orbitals

Zeitschrift für Physik A Atoms and Nuclei ◽

10.1007/bf01437866 ◽

1976 ◽

Vol 279 (2) ◽

pp. 113-125 ◽

Cited By ~ 101

Author(s):

Ingvar Lindgren ◽

Johannes Lindgren ◽

Ann-Marie M�rtensson

Keyword(s):

Hyperfine Interaction ◽

Excited States ◽

Many Body ◽

Natural Orbitals ◽

Alkali Atoms

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Vibrationally resolved ionization cross sections for the ground state and electronically excited states of the hydrogen molecule

Chemical Physics ◽

10.1016/j.chemphys.2011.10.013 ◽

2011 ◽

Vol 390 (1) ◽

pp. 75-82 ◽

Cited By ~ 4

Author(s):

D. Wünderlich

Keyword(s):

Excited States ◽

Cross Sections ◽

Ground State ◽

Hydrogen Molecule ◽

Ionization Cross ◽

Electronically Excited States ◽

Electronically Excited ◽

Ionization Cross Sections

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Potential Energy Curves and Generalized Oscillator Strength for Doubly Excited States of the Hydrogen Molecule

Journal of Physics Conference Series ◽

10.1088/1742-6596/635/7/072087 ◽

2015 ◽

Vol 635 (7) ◽

pp. 072087

Author(s):

L O Santos ◽

R F Nascimento ◽

A B Rochaz ◽

N V de Castro Faria ◽

Ginette Jalbert

Keyword(s):

Potential Energy ◽

Oscillator Strength ◽

Excited States ◽

Hydrogen Molecule ◽

Potential Energy Curves ◽

Doubly Excited States ◽

Doubly Excited ◽

Generalized Oscillator

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Ionic Configuration Interaction in Some Excited States of the Hydrogen Molecule

Proceedings of the Physical Society Section A ◽

10.1088/0370-1298/68/7/311 ◽

1955 ◽

Vol 68 (7) ◽

pp. 632-636 ◽

Cited By ~ 14

Author(s):

J T Lewis

Keyword(s):

Excited States ◽

Configuration Interaction ◽

Hydrogen Molecule ◽

Ionic Configuration

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The Rydberg and Valence-Shell Characters of the Low-Lying Excited States of the Hydrogen Molecule

Journal of the Physical Society of Japan ◽

10.1143/jpsj.43.1351 ◽

1977 ◽

Vol 43 (4) ◽

pp. 1351-1357 ◽

Cited By ~ 1

Author(s):

Takeshi Noro ◽

Kiyoshi Tanaka ◽

Kimio Ohno

Keyword(s):

Excited States ◽

Hydrogen Molecule ◽

Valence Shell

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