General Formulas for Kinetic Energy Matrix Elements of In‐Plane Vibration in Planar Molecules

Takehiko Shimanouchi

doi:10.1063/1.1743023

General Formulas for Kinetic Energy Matrix Elements of In‐Plane Vibration in Planar Molecules

The Journal of Chemical Physics ◽

10.1063/1.1743023 ◽

1956 ◽

Vol 25 (4) ◽

pp. 660-661 ◽

Cited By ~ 9

Author(s):

Takehiko Shimanouchi

Keyword(s):

Kinetic Energy ◽

Matrix Elements ◽

Energy Matrix ◽

Plane Vibration ◽

Planar Molecules

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A Tabulation of General Formulas for Inverse Kinetic Energy Matrix Elements in Acyclic Molecules

The Journal of Chemical Physics ◽

10.1063/1.1746719 ◽

1948 ◽

Vol 16 (11) ◽

pp. 1025-1034 ◽

Cited By ~ 168

Author(s):

J. C. Decius

Keyword(s):

Kinetic Energy ◽

Matrix Elements ◽

Energy Matrix

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Kinetic Energy Matrix Elements for Linear Molecules

The Journal of Chemical Physics ◽

10.1063/1.1748434 ◽

1951 ◽

Vol 19 (7) ◽

pp. 982-983 ◽

Cited By ~ 47

Author(s):

Salvador M. Ferigle ◽

Arnold G. Meister

Keyword(s):

Kinetic Energy ◽

Matrix Elements ◽

Energy Matrix ◽

Linear Molecules

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Kinetic-energy matrix elements for atomic Hylleraas-CI wave functions

The Journal of Chemical Physics ◽

10.1063/1.4950957 ◽

2016 ◽

Vol 144 (20) ◽

pp. 204110 ◽

Cited By ~ 2

Author(s):

Frank E. Harris

Keyword(s):

Kinetic Energy ◽

Wave Functions ◽

Matrix Elements ◽

Energy Matrix

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Erratum: “Kinetic-energy matrix elements for atomic Hylleraas-CI wave functions” [J. Chem. Phys. 144, 204110 (2016)]

The Journal of Chemical Physics ◽

10.1063/1.4963187 ◽

2016 ◽

Vol 145 (12) ◽

pp. 129901 ◽

Cited By ~ 1

Author(s):

Frank E. Harris

Keyword(s):

Kinetic Energy ◽

Chem Phys ◽

Wave Functions ◽

Matrix Elements ◽

Energy Matrix

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Formulation of Isotopic Splitting in Terms of the Reciprocal Kinetic Energy Matrix

The Journal of Chemical Physics ◽

10.1063/1.1699026 ◽

1953 ◽

Vol 21 (4) ◽

pp. 763-764

Author(s):

William J. Taylor

Keyword(s):

Kinetic Energy ◽

Energy Matrix

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J. Hinze (Ed.): The Unitary Group for the Evaluation of Electronic Energy Matrix Elements. Unitary Group Workshop 1979. Lecture Notes in Chemistry, Vol. 22. Springer-Verlag, Berlin-Heidelberg-New York 1981. 371 Seiten, Preis: DM 53.50.

Berichte der Bunsengesellschaft für physikalische Chemie ◽

10.1002/bbpc.19820860317 ◽

1982 ◽

Vol 86 (3) ◽

pp. 263-263

Author(s):

R. Ahlrichs

Keyword(s):

New York ◽

Unitary Group ◽

Electronic Energy ◽

Matrix Elements ◽

Energy Matrix ◽

Lecture Notes

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Efficient and accurate evaluation of potential energy matrix elements for quantum dynamics using Gaussian process regression

The Journal of Chemical Physics ◽

10.1063/1.4964902 ◽

2016 ◽

Vol 145 (17) ◽

pp. 174112 ◽

Cited By ~ 37

Author(s):

Jonathan P. Alborzpour ◽

David P. Tew ◽

Scott Habershon

Keyword(s):

Potential Energy ◽

Gaussian Process ◽

Quantum Dynamics ◽

Gaussian Process Regression ◽

Matrix Elements ◽

Energy Matrix ◽

Accurate Evaluation ◽

Potential Energy Matrix

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General formulation of rovibrational kinetic energy operators and matrix elements in internal bond-angle coordinates using factorized Jacobians

The Journal of Chemical Physics ◽

10.1063/1.4972224 ◽

2016 ◽

Vol 145 (23) ◽

pp. 234102 ◽

Cited By ~ 2

Author(s):

Wassja A. Kopp ◽

Kai Leonhard

Keyword(s):

Kinetic Energy ◽

Internal Bond ◽

Bond Angle ◽

Matrix Elements

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An Eckart-frame kinetic energy operator for tetra-atomic planar molecules

The Journal of Chemical Physics ◽

10.1063/1.1562625 ◽

2003 ◽

Vol 118 (16) ◽

pp. 7208 ◽

Cited By ~ 18

Author(s):

Hua Wei

Keyword(s):

Kinetic Energy ◽

Energy Operator ◽

Kinetic Energy Operator ◽

Planar Molecules

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Comment on ‘‘Valence-bond theory and the evaluation of electronic energy matrix elements between nonorthogonal Slater determinants’’

Physical Review A ◽

10.1103/physreva.34.671 ◽

1986 ◽

Vol 34 (1) ◽

pp. 671-671 ◽

Cited By ~ 2

Author(s):

G. A. Gallup

Keyword(s):

Valence Bond ◽

Electronic Energy ◽

Matrix Elements ◽

Energy Matrix ◽

Valence Bond Theory ◽

Bond Theory

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