General formulation of the vibrational kinetic energy operator in internal bond-angle coordinates

John H. Frederick; Clemens Woywod

doi:10.1063/1.480101

General formulation of the vibrational kinetic energy operator in internal bond-angle coordinates

The Journal of Chemical Physics ◽

10.1063/1.480101 ◽

1999 ◽

Vol 111 (16) ◽

pp. 7255-7271 ◽

Cited By ~ 65

Author(s):

John H. Frederick ◽

Clemens Woywod

Keyword(s):

Kinetic Energy ◽

Internal Bond ◽

Bond Angle ◽

Energy Operator ◽

Kinetic Energy Operator ◽

Vibrational Kinetic

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Aspects of the Eckart frame ro-vibrational kinetic energy operator

The Journal of Chemical Physics ◽

10.1063/1.4928433 ◽

2015 ◽

Vol 143 (6) ◽

pp. 064104 ◽

Cited By ~ 6

Author(s):

Viktor Szalay

Keyword(s):

Kinetic Energy ◽

Energy Operator ◽

Kinetic Energy Operator ◽

Vibrational Kinetic

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On the form of the exact quantum mechanical vibrational kinetic energy operator for penta-atomic molecules in internal coordinates

Molecular Physics ◽

10.1080/00268979500102521 ◽

1995 ◽

Vol 86 (5) ◽

pp. 959-979 ◽

Cited By ~ 22

Author(s):

Attila G. Császár ◽

Nicholas C. Handy

Keyword(s):

Kinetic Energy ◽

Energy Operator ◽

Quantum Mechanical ◽

Kinetic Energy Operator ◽

Exact Quantum ◽

Internal Coordinates ◽

Vibrational Kinetic

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General internal coordinate gradient vectors and the vibrational kinetic energy operator of centrally-connected penta-atomic systems. Part I

Physical Chemistry Chemical Physics ◽

10.1039/b603106d ◽

2006 ◽

Vol 8 (24) ◽

pp. 2848 ◽

Cited By ~ 13

Author(s):

Steven A. Manson ◽

Mark M. Law

Keyword(s):

Kinetic Energy ◽

Energy Operator ◽

Kinetic Energy Operator ◽

Atomic Systems ◽

General Internal ◽

Vibrational Kinetic

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Exact quantum mechanical vibrational kinetic energy operator of sequentially bonded molecules in valence internal coordinates

The Journal of Chemical Physics ◽

10.1063/1.468524 ◽

1995 ◽

Vol 102 (10) ◽

pp. 3962-3967 ◽

Cited By ~ 38

Author(s):

Attila G. Császár ◽

Nicholas C. Handy

Keyword(s):

Kinetic Energy ◽

Energy Operator ◽

Quantum Mechanical ◽

Kinetic Energy Operator ◽

Exact Quantum ◽

Internal Coordinates ◽

Vibrational Kinetic

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Form of the quantum kinetic energy operator for relative motion of a group of particles in a general non-inertial reference frame

Chemical Physics ◽

10.1016/0301-0104(87)85071-1 ◽

1987 ◽

Vol 118 (3) ◽

pp. 379-395 ◽

Cited By ~ 11

Author(s):

J.P. Leroy ◽

R. Wallace

Keyword(s):

Kinetic Energy ◽

Reference Frame ◽

Relative Motion ◽

Energy Operator ◽

Inertial Reference Frame ◽

Kinetic Energy Operator

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Variational finite-difference representation of the kinetic energy operator

Physical Review B ◽

10.1103/physrevb.64.193101 ◽

2001 ◽

Vol 64 (19) ◽

Cited By ~ 13

Author(s):

P. Maragakis ◽

José Soler ◽

Efthimios Kaxiras

Keyword(s):

Kinetic Energy ◽

Finite Difference ◽

Energy Operator ◽

Kinetic Energy Operator

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On derivation of curvilinear ro-vibrational quantum kinetic energy operator, for polyatomic molecules

Journal of Molecular Structure THEOCHEM ◽

10.1016/s0166-1280(98)00013-x ◽

1998 ◽

Vol 433 (1-3) ◽

pp. 69-81 ◽

Cited By ~ 3

Author(s):

J.R. Alvarez-Collado

Keyword(s):

Kinetic Energy ◽

Energy Operator ◽

Polyatomic Molecules ◽

Kinetic Energy Operator

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Kinetic-energy operator in the effective shell-model interaction

Physical Review C ◽

10.1103/physrevc.46.2333 ◽

1992 ◽

Vol 46 (6) ◽

pp. 2333-2339 ◽

Cited By ~ 9

Author(s):

L. Jaqua ◽

M. A. Hasan ◽

J. P. Vary ◽

B. R. Barrett

Keyword(s):

Kinetic Energy ◽

Shell Model ◽

Energy Operator ◽

Kinetic Energy Operator ◽

Model Interaction

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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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Quantum kinetic energy operator for a group of particles in terms of scalar basic rotational invariant coordinates derived from a generalized Jacobi vector (GJV) description. III. A metric tensors approach

Chemical Physics ◽

10.1016/0301-0104(91)85023-a ◽

1991 ◽

Vol 154 (3) ◽

pp. 395-405 ◽

Cited By ~ 4

Author(s):

J.P. Leroy ◽

H. Rabitz ◽

R. Wallace

Keyword(s):

Kinetic Energy ◽

Energy Operator ◽

Kinetic Energy Operator ◽

Jacobi Vector ◽

Rotational Invariant ◽

Metric Tensors

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