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小木虫论坛-学术科研互动平台» 学术交流区» 论文翻译 » 论文翻译求助完结子版 » 汉译英，一段论文。
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wypward(金币+2):欢迎新虫 2010-05-30 22:41:43
66451093(金币+2, 翻译EPI+1): 2010-05-31 09:06:29
zehuac(金币+1):多谢应助，鼓励一下新虫 2010-06-16 09:37:38
木子小木虫(金币+48):再接再厉吧，欢迎常来翻译版！ 2010-07-27 15:55:40
In this paper, the potential curve of AlH has been calculated using a highly accurate ab initio method, i.e., the multireference configuration interaction (MRCI) method implemented in the MOLPRO2008 program. For H and Al, the AVQZ and AVQZ-PP basis sets were used, respectively. The total energies were calculated with and without Davidson correction. Analytic potential curve was obtained by fitting the MS function to the calculated potential curve. The spectroscopic constant and vibration-rotational energy levels were calculated using the MOLCAS program for the two cases. Through the comparison with current experimental and theoretical values, the optimum solution for the system was determined.
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