Comments on ``Potential Energy Function for Diatomic Molecules''
نویسندگان
چکیده
منابع مشابه
Rydberg-London potential for diatomic molecules and unbonded atom pairs.
We propose and test a pair potential that is accurate at all relevant distances and simple enough for use in large-scale computer simulations. A combination of the Rydberg potential from spectroscopy and the London inverse-sixth-power energy, the proposed form fits spectroscopically determined potentials better than the Morse, Varnshi, and Hulburt-Hirschfelder potentials and much better than th...
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In order to represent the potential energy function over the whole range of R, many potentialenergy functions have been proposed. In the present paper, we employ many potential energyfunctions, to use Numerov method for solving the nuclear Schrödinger equation for the IFmolecule, as an example of a heteronuclear diatomic molecules. Then we determine thespectroscopic constants eω , e e x ω , e B...
متن کاملIdentiication of Born-oppenheimer Potential Energy Surfaces of Diatomic Molecules from Optimized Chirped Pulses
The optimal control of molecules has been widely studied in recent years. In this paper we explore the feasibility of applying adaptive feedback optimal control to determine Born-Oppenheimer (BO) surfaces. If the molecular wave packet is well localized, laser pulses optimized to transfer population between two surfaces contain information on the potential energy diierence in the region scanned ...
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This work deals with the calculation of Franck-Condon factors using Hua potential function for the first time. The advantages of this function have been mentioned, and the numerical methods are used to obtain Franck-Condon factors for the following band systems: Agreement between the values of this work and those obtained from other works is quite good that verifies the reliability...
متن کاملLuminescence of Diatomic Molecules
Photoionization has been used to produce ions of N2 , 0 2 . and CO in definite excited states. Deactivating collisions of these ions with molecular gases were described in paper I, where the cross sections of ions with thermal velocity are given for various electronic and vibrational states. By application of an electric field the charged particles are accelerated yielding information on the in...
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ژورنال
عنوان ژورنال: The Journal of Chemical Physics
سال: 1962
ISSN: 0021-9606,1089-7690
DOI: 10.1063/1.1701396