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中国物理学会期刊

关於分子结構的一个新的量子力学计算方法

CSTR: 32037.14.aps.11.143

A NEW METHOD OF CALCULATION FOR THE STRUCTURE OF MOLECULES

CSTR: 32037.14.aps.11.143
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  • A new method of calculation of the self-consistent field type is outlined for studying the electronic structure of molecules. In this method the fundamental wave functions refer to individual bonds of the molecule and not to individual electrons as in the existing methods of atomic orbitals and molecular orbitals.

     

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