“ab initio computation”的概念、定义、翻译、参考文献-科学参考

单词	ab initio computation
释义	ab initio computation [´ab ǝ¦nish·ē·ō ´käm·pyǝ`tā·shǝn] ^{PHYSICAL CHEMISTRY} Computation of the geometry of a molecule solely from a knowledge of its composition and molecular structure as derived from the solution of the Schrödinger equation for the given molecule.
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