Simple Bond‐Charge Model for Potential‐Energy Curves of Heteronuclear Diatomic Molecules

Raymond F. Borkman; Gary Simons; Robert G. Parr

doi:10.1063/1.1670868

Simple Bond‐Charge Model for Potential‐Energy Curves of Heteronuclear Diatomic Molecules

The Journal of Chemical Physics ◽

10.1063/1.1670868 ◽

1969 ◽

Vol 50 (1) ◽

pp. 58-65 ◽

Cited By ~ 60

Author(s):

Raymond F. Borkman ◽

Gary Simons ◽

Robert G. Parr

Keyword(s):

Potential Energy ◽

Diatomic Molecules ◽

Potential Energy Curves ◽

Charge Model ◽

Bond Charge ◽

Bond Charge Model

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Simple Bond‐Charge Model for Potential‐Energy Curves of Homonuclear Diatomic Molecules

The Journal of Chemical Physics ◽

10.1063/1.1670191 ◽

1968 ◽

Vol 49 (3) ◽

pp. 1055-1058 ◽

Cited By ~ 87

Author(s):

Robert G. Parr ◽

Raymond F. Borkman

Keyword(s):

Potential Energy ◽

Diatomic Molecules ◽

Potential Energy Curves ◽

Charge Model ◽

Homonuclear Diatomic Molecules ◽

Bond Charge ◽

Bond Charge Model

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Development of the Bond‐Charge Model for Vibrating Diatomic Molecules

The Journal of Chemical Physics ◽

10.1063/1.1676736 ◽

1971 ◽

Vol 55 (9) ◽

pp. 4197-4202 ◽

Cited By ~ 29

Author(s):

Gary Simons ◽

Robert G. Parr

Keyword(s):

Diatomic Molecules ◽

Charge Model ◽

Bond Charge ◽

Bond Charge Model

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A first-principles derived parametrization for the adiabatic bond charge model

Solid State Communications ◽

10.1016/0038-1098(95)00408-4 ◽

1995 ◽

Vol 96 (2) ◽

pp. 49-52 ◽

Cited By ~ 7

Author(s):

L. Colombo ◽

P. Giannozzi

Keyword(s):

First Principles ◽

Charge Model ◽

Bond Charge ◽

Bond Charge Model

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Lattice dynamics of bromine and chlorine using the simple bond charge model

Journal of Physics C Solid State Physics ◽

10.1088/0022-3719/11/8/017 ◽

1978 ◽

Vol 11 (8) ◽

pp. 1563-1572 ◽

Cited By ~ 18

Author(s):

A Pasternak ◽

A Anderson ◽

J W Leech

Keyword(s):

Lattice Dynamics ◽

Charge Model ◽

Bond Charge ◽

Bond Charge Model

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STUDY ON THE POTENTIAL ENERGY CURVES OF ALKALI DIATOMIC MOLECULES WITH ENERGY CO NSISTENT METHOD

Acta Physica Sinica ◽

10.7498/aps.49.2352 ◽

2000 ◽

Vol 49 (12) ◽

pp. 2352

Author(s):

WEN JING ◽

SUN WEI-GUO ◽

FENG HAO

Keyword(s):

Potential Energy ◽

Diatomic Molecules ◽

Potential Energy Curves ◽

Alkali Diatomic Molecules

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Construction of bound-state potential energy curves of diatomic molecules from vibration-rotational spectroscopic data

Journal of Molecular Structure THEOCHEM ◽

10.1016/0166-1280(93)87097-w ◽

1993 ◽

Vol 280 (1) ◽

pp. 89-99 ◽

Cited By ~ 5

Author(s):

Carlos G. Diaz ◽

Francisco M. Fernández ◽

Eduardo A. Castro

Keyword(s):

Potential Energy ◽

Spectroscopic Data ◽

Diatomic Molecules ◽

Bound State ◽

Potential Energy Curves ◽

State Potential

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Bending force constant formulas from a bond-charge model of triatomic molecules

Chemical Physics Letters ◽

10.1016/0009-2614(74)80497-5 ◽

1974 ◽

Vol 25 (2) ◽

pp. 413-416 ◽

Cited By ~ 1

Author(s):

G Simons

Keyword(s):

Force Constant ◽

Triatomic Molecules ◽

Bending Force ◽

Charge Model ◽

Bond Charge ◽

Bond Charge Model

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A Method for Obtaining the Vibrational Wave Functions Appropriate to the True Potential Energy Curves of Diatomic Molecules

Proceedings of the Physical Society ◽

10.1088/0370-1328/80/2/321 ◽

1962 ◽

Vol 80 (2) ◽

pp. 525-533 ◽

Cited By ~ 7

Author(s):

D C Jain ◽

P Sah

Keyword(s):

Potential Energy ◽

Diatomic Molecules ◽

Wave Functions ◽

Potential Energy Curves

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Genetic based fitting techniques for high precision potential energy curves of diatomic molecules

Journal of Physics B Atomic Molecular and Optical Physics ◽

10.1088/1361-6455/ab0c4b ◽

2019 ◽

Vol 52 (10) ◽

pp. 105002 ◽

Cited By ~ 1

Author(s):

I C Stevenson ◽

J Pérez-Ríos

Keyword(s):

Potential Energy ◽

High Precision ◽

Diatomic Molecules ◽

Potential Energy Curves

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Lattice dynamics of II-VI materials using the adiabatic bond-charge model

Physical Review B ◽

10.1103/physrevb.53.9052 ◽

1996 ◽

Vol 53 (14) ◽

pp. 9052-9058 ◽

Cited By ~ 81

Author(s):

B. D. Rajput ◽

D. A. Browne

Keyword(s):

Lattice Dynamics ◽

Charge Model ◽

Bond Charge ◽

Bond Charge Model

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