Improved calculation of electronic excitation energies of transition‐metal compounds by a correlation energy correction: Application to CrF63− and NiF64−

L. Pueyo; J. W. Richardson

doi:10.1063/1.435334

Improved calculation of electronic excitation energies of transition‐metal compounds by a correlation energy correction: Application to CrF63− and NiF64−

The Journal of Chemical Physics ◽

10.1063/1.435334 ◽

1977 ◽

Vol 67 (8) ◽

pp. 3577-3582 ◽

Cited By ~ 26

Author(s):

L. Pueyo ◽

J. W. Richardson

Keyword(s):

Transition Metal ◽

Electronic Excitation ◽

Correlation Energy ◽

Transition Metal Compounds ◽

Excitation Energies ◽

Metal Compounds ◽

Energy Correction

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Erratum: Improved calculation of electronic excitation energies of transition‐metal compounds by a correlation energy correction: Application to CrF63− and NiF64− [J. Chem. Phys. 67, 3577 (1977)]

The Journal of Chemical Physics ◽

10.1063/1.441768 ◽

1981 ◽

Vol 74 (3) ◽

pp. 2081-2081

Author(s):

L. Pueyo ◽

J. W. Richardson

Keyword(s):

Transition Metal ◽

Electronic Excitation ◽

Correlation Energy ◽

Chem Phys ◽

Transition Metal Compounds ◽

Excitation Energies ◽

Metal Compounds ◽

Energy Correction

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Coulomb correlation energy versus covalence in transition-metal compounds

Journal of Electron Spectroscopy and Related Phenomena ◽

10.1016/j.elspec.2006.04.002 ◽

2006 ◽

Vol 152 (3) ◽

pp. 107-114 ◽

Cited By ~ 4

Author(s):

I. Pollini

Keyword(s):

Transition Metal ◽

Correlation Energy ◽

Transition Metal Compounds ◽

Coulomb Correlation ◽

Metal Compounds

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Excitation Energies for Transition Metal Compounds from Time-Dependent Density Functional Theory. Applications to MnO4-, Ni(CO)4, and Mn2(CO)10

The Journal of Physical Chemistry A ◽

10.1021/jp991060y ◽

1999 ◽

Vol 103 (34) ◽

pp. 6835-6844 ◽

Cited By ~ 139

Author(s):

S. J. A. van Gisbergen ◽

J. A. Groeneveld ◽

A. Rosa ◽

J. G. Snijders ◽

E. J. Baerends

Keyword(s):

Density Functional Theory ◽

Transition Metal ◽

Density Functional ◽

Transition Metal Compounds ◽

Time Dependent ◽

Excitation Energies ◽

Functional Theory ◽

Metal Compounds ◽

Dependent Density

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The correlation factor model for the exchange-correlation energy and its application to transition metal compounds

The Journal of Chemical Physics ◽

10.1063/1.5083840 ◽

2019 ◽

Vol 150 (8) ◽

pp. 084107 ◽

Cited By ~ 1

Author(s):

Rodrigo Wang ◽

Yongxi Zhou ◽

Matthias Ernzerhof

Keyword(s):

Transition Metal ◽

Correlation Energy ◽

Factor Model ◽

Correlation Factor ◽

Transition Metal Compounds ◽

Metal Compounds ◽

Exchange Correlation

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ChemInform Abstract: REACTIONS OF YLIDES WITH TRANSITION METAL COMPOUNDS. IV. PENTACARBONYL-YLIDE-CHROMIUM(0) COMPLEXES

Chemischer Informationsdienst ◽

10.1002/chin.197828255 ◽

1978 ◽

Vol 9 (28) ◽

Author(s):

L. KNOLL

Keyword(s):

Transition Metal ◽

Transition Metal Compounds ◽

Metal Compounds

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ChemInform Abstract: SEQUENTIAL TWO PHOTON PHOTOREDOX CHEMISTRY OF TRANSITION METAL COMPOUNDS. NONLINEAR INTENSITY EFFECTS IN PHOTOCHEMISTRY OF THE REINECKATE ION

Chemischer Informationsdienst ◽

10.1002/chin.197741336 ◽

1977 ◽

Vol 8 (41) ◽

Author(s):

R. SRIRAM ◽

J. F. ENDICOTT ◽

S. C. PYKE

Keyword(s):

Transition Metal ◽

Transition Metal Compounds ◽

Metal Compounds ◽

Two Photon

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Application of non-linear properties of transition metal compounds as optical limiters

Proceedings 11th International Symposium on Electrets ISE-02 ◽

10.1109/ise.2002.1043000 ◽

2003 ◽

Author(s):

A.V. Ilinskii ◽

V.A. Klimov ◽

A.I. Sidorov ◽

I.O. Timofeeva ◽

S.D. Khanin ◽

...

Keyword(s):

Transition Metal ◽

Transition Metal Compounds ◽

Metal Compounds ◽

Optical Limiters ◽

Non Linear

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ChemInform Abstract: Trapping and Manipulating Excited Spin States of Transition Metal Compounds

ChemInform ◽

10.1002/chin.200818231 ◽

2008 ◽

Vol 39 (18) ◽

Author(s):

Malcolm A. Halcrow

Keyword(s):

Transition Metal ◽

Transition Metal Compounds ◽

Spin States ◽

Metal Compounds

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On the Structural and Magnetic Properties of R2Fe17?x(A,T)x (R = Rare Earth; A = Al, Si, Ga; T = Transition Metal) Compounds

phys stat sol (a) ◽

10.1002/1521-396x(200202)189:2<373::aid-pssa373>3.0.co;2-g ◽

2002 ◽

Vol 189 (2) ◽

pp. 373-388 ◽

Cited By ~ 14

Author(s):

K.V.S. Rama Rao ◽

H. Ehrenberg ◽

G. Markandeyulu ◽

U.V. Varadaraju ◽

M. Venkatesan ◽

...

Keyword(s):

Magnetic Properties ◽

Rare Earth ◽

Transition Metal ◽

Transition Metal Compounds ◽

Metal Compounds ◽

Structural And Magnetic Properties

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Superconductivity of some transition metal compounds

Journal of Solid State Chemistry ◽

10.1016/0022-4596(80)90401-6 ◽

1980 ◽

Vol 34 (1) ◽

pp. 45-50 ◽

Cited By ~ 12

Author(s):

A.Nørlund Christensen ◽

S.E. Rasmussen ◽

G. Thirup

Keyword(s):

Transition Metal ◽

Transition Metal Compounds ◽

Metal Compounds

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