CHINESE JOURNAL OF COMPUTATIONAL PHYSICS ›› 1990, Vol. 7 ›› Issue (4): 431-433.
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Pan Zhongcheng, Liu Jingjiang, Wang Jian
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Abstract: Based on the electron cloud displacement model (the atomic orbits of H and O were displaced), the total energy of H2O molecule is calculated by an initial method with STO-3G. The improved result is obtained.
Key words: electron cloud, displacement model, atomic orbit
Pan Zhongcheng, Liu Jingjiang, Wang Jian. CALCULATION OF H2O GROUND STATE BY THE ELECTRON CLOUD DISPLACEMENT MODEL[J]. CHINESE JOURNAL OF COMPUTATIONAL PHYSICS, 1990, 7(4): 431-433.
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http://www.cjcp.org.cn/EN/Y1990/V7/I4/431
