Calculation of wave-functions and collision matrix elements for one-electron diatomic molecules
β Scribed by A. Salin
- Publisher
- Elsevier Science
- Year
- 1978
- Tongue
- English
- Weight
- 936 KB
- Volume
- 14
- Category
- Article
- ISSN
- 0010-4655
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β¦ Synopsis
A. Salin / Wave functions and collision matrix elements for one-electron diatomic molecules Overlay structure: Optionally overlaid Nature of the physical problem: Determination of the norm of the wave-functions and of radial and rotational coupling No. of magnetic tapes required: none matrix elements between the states of one electron diatomic molecules. The wave-functions are given by the program Other peripherals used: card reader, line printer and prefer-GRAVE. ably magnetic disks. No of cards in combined program and test deck: 1120 Method of solution The integrations are carried out either analytically or by Card punching code: EBCDIC Gauss-Laguerre quadratures.
π SIMILAR VOLUMES
## Abstract In this article, the electron transfer (ET) matrix element has been estimated for the gasβphase hole transfer between indole cation radical (InH^+^) and phenol (PhOH). This work consists of three parts. First, the ET reaction between the isolated indole and phenol was investigated using