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SUBSTRATE MODEL AND INTERACTING POTENTIAL OF METHYL WITH DIAMOND (Ⅲ) SURFACE

Liu Bo, Li Yanxin, Qian Xingzhong, Pan Shoufu

CHINESE JOURNAL OF COMPUTATIONAL PHYSICS 1994, 11 (4): 425-428.

Abstract （293）

PDF （284KB）（944）

The potential energy curves between methyl and diamond (Ⅲ) surface are calculated by Ami semi-empirical molecular orbital method, which are found to be in close agreement with the substrate models. It provides much information for studying the dynamic processes of the nucleation and growth of diamond films, and more general adsorption as well.

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THE R-MATRIX PACKAGE AND CALCULATIONS OF ELECTRON IMPACT IONISATION

Qian Xingzhong, Pan Shoufu

CHINESE JOURNAL OF COMPUTATIONAL PHYSICS 1994, 11 (3): 375-378.

Abstract （234）

PDF （269KB）（1125）

The program for Computing electron impact ionization has been written in Coulomb-Born approximation using the program source ready in original R-matrix package,based on the R-matrix theory of electron impact ionization.

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THE MCHF PACKAGE AND COMPUTATIONAL CODES OF EIGENCHANNEL QUANTUM DEFECT PARAMETERS

Qian Xingzhong, Wang Zhiwen

CHINESE JOURNAL OF COMPUTATIONAL PHYSICS 1994, 11 (2): 248-251.

Abstract （259）

PDF （248KB）（979）

The program for computing EQDT parameters is achieved by using the program source ready in original MCHF package on basis of the eigen-channel quantum defect theory with electrostatic and spin-orbit interactions.

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