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

J. P. Leroy; H. Rabitz; R. Wallace

doi:10.1016/0301-0104(91)85023-A

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

J. P. Leroy, H. Rabitz, R. Wallace

Research output: Contribution to journal › Article › peer-review

4 Scopus citations

Abstract

A more compact and standard formulation for the quantum kinetic energy operator of a system of nuclei exercising arbitrary amplitude motion is presented, deriving from a direct transformation from Cartesian centre of mass source coordinates of a set of GJV describing the system to internal and rotational curvilinear coordinates.

Original language	English (US)
Pages (from-to)	395-405
Number of pages	11
Journal	Chemical Physics
Volume	154
Issue number	3
DOIs	https://doi.org/10.1016/0301-0104(91)85023-A
State	Published - Jul 15 1991

All Science Journal Classification (ASJC) codes

General Physics and Astronomy
Physical and Theoretical Chemistry

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10.1016/0301-0104(91)85023-A

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abstract = "A more compact and standard formulation for the quantum kinetic energy operator of a system of nuclei exercising arbitrary amplitude motion is presented, deriving from a direct transformation from Cartesian centre of mass source coordinates of a set of GJV describing the system to internal and rotational curvilinear coordinates.",

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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. / Leroy, J. P.; Rabitz, H.; Wallace, R.
In: Chemical Physics, Vol. 154, No. 3, 15.07.1991, p. 395-405.

Research output: Contribution to journal › Article › peer-review

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T1 - 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

AU - Leroy, J. P.

AU - Rabitz, H.

AU - Wallace, R.

PY - 1991/7/15

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N2 - A more compact and standard formulation for the quantum kinetic energy operator of a system of nuclei exercising arbitrary amplitude motion is presented, deriving from a direct transformation from Cartesian centre of mass source coordinates of a set of GJV describing the system to internal and rotational curvilinear coordinates.

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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

Abstract

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