The previously suggested generalized potential energy function (GPEF) is used for calculation of the X 'E+ state potential curve of SiF+ from the molecular constants. The procedure of the calculations is based on the optimization of nonlinear parameters p and n of GPEF. The obtained GPEF for SiF+ yi
On the inversion of thermophysical properties generated from anisotropic potential energy functions
β Scribed by E.Brian Smith; Dominic J. Tildesley; Andrew R. Tindell; Sarah L. Price
- Publisher
- Elsevier Science
- Year
- 1980
- Tongue
- English
- Weight
- 274 KB
- Volume
- 74
- Category
- Article
- ISSN
- 0009-2614
No coin nor oath required. For personal study only.
β¦ Synopsis
Computersenerated
thermophysxal properties from an amsotrop~c potential energy function were inverted to obtain effectne potent& of spherrcal symmetry. These were very simdar when obtained from both transport properties and gas imperfectron data Thus suggests that it may be possiile to define effectrve spherical potentials of wide applicabihty for the thermophyslcal propertles of anisotropic systems
π SIMILAR VOLUMES
The properties of the long-range part of the previously suggested generalized potential energy function and Coulomb-subtracted generalized potential energy function have been investigated. It is demonstrated that these empirical functions can correctly reproduce the long-range part of the diatomic p
An explicit formula applicable to any temperature range is derived for calculating the potential ener\_gy as a function of position when the probabhty density of a quantum system is given as a function of position and temperature.