Group-theoretical formulation of an Eckart-frame kinetic energy operator in curvilinear coordinates for polyatomic molecules

Michael Rey

doi:10.1063/1.5109482

Group-theoretical formulation of an Eckart-frame kinetic energy operator in curvilinear coordinates for polyatomic molecules

The Journal of Chemical Physics ◽

10.1063/1.5109482 ◽

2019 ◽

Vol 151 (2) ◽

pp. 024101 ◽

Cited By ~ 3

Author(s):

Michael Rey

Keyword(s):

Kinetic Energy ◽

Energy Operator ◽

Polyatomic Molecules ◽

Curvilinear Coordinates ◽

Kinetic Energy Operator ◽

Theoretical Formulation

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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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Hierarchical expansion of the kinetic energy operator in curvilinear coordinates for the vibrational self-consistent field method

The Journal of Chemical Physics ◽

10.1063/1.3637629 ◽

2011 ◽

Vol 135 (12) ◽

pp. 124102 ◽

Cited By ~ 20

Author(s):

D. Strobusch ◽

Ch. Scheurer

Keyword(s):

Kinetic Energy ◽

Energy Operator ◽

Field Method ◽

Curvilinear Coordinates ◽

Kinetic Energy Operator ◽

Consistent Field ◽

Self Consistent ◽

Self Consistent Field

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The Kinetic Energy Operator in Curvilinear Coordinates

Lecture Notes in Chemistry - Applications of Quantum Dynamics in Chemistry ◽

10.1007/978-3-319-53923-2_6 ◽

2017 ◽

pp. 127-166

Author(s):

Fabien Gatti ◽

Benjamin Lasorne ◽

Hans-Dieter Meyer ◽

André Nauts

Keyword(s):

Kinetic Energy ◽

Energy Operator ◽

Curvilinear Coordinates ◽

Kinetic Energy Operator

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Possible Simplification of the Algorithm for Calculating Electronic-Vibrational Energy Levels of Polyatomic Molecules in Natural Coordinates with Averaging of the Kinetic Energy Operator

Journal of Applied Spectroscopy ◽

10.1007/s10812-020-01005-2 ◽

2020 ◽

Vol 87 (2) ◽

pp. 345-348

Author(s):

L. A. Gribov

Keyword(s):

Kinetic Energy ◽

Vibrational Energy ◽

Energy Levels ◽

Energy Operator ◽

Polyatomic Molecules ◽

Natural Coordinates ◽

Kinetic Energy Operator ◽

Vibrational Energy Levels

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Exact numerical computation of a kinetic energy operator in curvilinear coordinates

The Journal of Chemical Physics ◽

10.1063/1.1469019 ◽

2002 ◽

Vol 116 (19) ◽

pp. 8560 ◽

Cited By ~ 150

Author(s):

David Lauvergnat ◽

André Nauts

Keyword(s):

Kinetic Energy ◽

Numerical Computation ◽

Energy Operator ◽

Curvilinear Coordinates ◽

Kinetic Energy Operator

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The hierarchical expansion of the kinetic energy operator in curvilinear coordinates extended to the vibrational configuration interaction method

The Journal of Chemical Physics ◽

10.1063/1.3646514 ◽

2011 ◽

Vol 135 (14) ◽

pp. 144101 ◽

Cited By ~ 22

Author(s):

D. Strobusch ◽

Ch. Scheurer

Keyword(s):

Kinetic Energy ◽

Configuration Interaction ◽

Energy Operator ◽

Curvilinear Coordinates ◽

Kinetic Energy Operator ◽

Interaction Method ◽

Configuration Interaction Method

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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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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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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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