Simple model potential and model wave functions for (Na, K, Rb, Cs)-H molecules
DSpace at IIT Bombay
View Archive InfoField | Value | |
Title |
Simple model potential and model wave functions for (Na, K, Rb, Cs)-H molecules
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Creator |
PATIL, SH
TANG, KT |
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Subject |
ground-state
pseudopotential calculations diatomic-molecules alkali ions wavefunctions hydrides curves helium nah |
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Description |
A simple model potential is used to describe the interaction of a valence electron with the alkali core, which has the correct asymptotic form with the Coulomb and dipolar polarizability terms, and an effective hard-core radius adjusted to give the correct energy for the valence electron. Based on this potential, some simple wave functions are developed to describe the (Na, K, Rb, Cs)-H molecules, which incorporate some important local properties, in particular the cusp property when two charged particles are close to each other. These wave functions provide reliable values for the potential, and a simple physical perspective of their structure. (C) 2003
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Publisher |
AMER INST PHYSICS
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Date |
2011-07-16T14:20:36Z
2011-12-26T12:49:48Z 2011-12-27T05:35:32Z 2011-07-16T14:20:36Z 2011-12-26T12:49:48Z 2011-12-27T05:35:32Z 2003 |
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Type |
Article
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Identifier |
JOURNAL OF CHEMICAL PHYSICS, 118(11), 4905-4912
0021-9606 http://dx.doi.org/10.1063/1.1545677 http://dspace.library.iitb.ac.in/xmlui/handle/10054/4450 http://hdl.handle.net/10054/4450 |
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Language |
en
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