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A Chemist's Guide to Density Functional Theory - Second Edition Ãܶȷºº¯ÀíÂ۵Ļ¯Ñ§¼ÒÖ¸ÄÏ£¨µÚ¶þ°æ£© ÏÂÔصØÖ·£ºhttps://www.zhisci.com/pdfshow/17612 Author£ºWolfram Koch, Max C. Holthausen Chemists familiar with conventional quantum mechanics will applaud and benefit greatly from this particularly instructive, thorough and clearly written exposition of density functional theory: its basis, concepts, terms, implementation, and performance in diverse applications. Users of DFT for structure, energy, and molecular property computations, as well as reaction mechanism studies, are guided to the optimum choices of the most effective methods. ÊìϤ´«Í³Á¿×ÓÁ¦Ñ§µÄ»¯Ñ§¼ÒÃǽ«´ÓÕâƪÌرðÓÐÆô·¢ÐԵġ¢Í¸³¹µÄ¡¢ÇåÎúµÄ²ûÊöÃܶȷºº¯ÀíÂÛ£ºËüµÄ»ù´¡¡¢¸ÅÄî¡¢ÊõÓʵÏÖÒÔ¼°ÔÚ¸÷ÖÖÓ¦ÓÃÖеıíÏÖ£¬¶¼»á´óÊÜ»¶Ó­ºÍÊÜÒæ¡£½á¹¹¡¢ÄÜÁ¿ºÍ·Ö×ÓÐÔÖʼÆËãÒÔ¼°·´Ó¦»úÀíÑо¿µÄDFTÓû§¿ÉÒÔÑ¡Ôñ×îÓÐЧµÄ·½·¨¡£

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