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翻訳と辞書　辞書検索 [ 開発暫定版 ] スポンサード リンク PySCF ： ウィキペディア英語版 PySCF PySCF is an ab initio computational chemistry program natively implemented in Python program language. The package aims to provide a simple, light-weight and efficient platform for quantum chemistry code developing and calculation. It provides various functions to do the Hartree-Fock, MP2, density functional theory, MCSCF, Coupled Cluster theory at non-relativistic level and 4-component relativistic Hartree-Fock theory. Although most functions are written in Python, the computation critical modules are intensively optimized in C. As a result, the package works as efficient as other C/Fortran based quantum chemistry program. PySCF is developed by Dr. Qiming Sun. == See also == * Quantum chemistry software 抄文引用元・出典: フリー百科事典『 ウィキペディア（Wikipedia）』 ■ウィキペディアで「PySCF」の詳細全文を読む スポンサード リンク 翻訳と辞書 : 翻訳のためのインターネットリソース Copyright(C) kotoba.ne.jp 1997-2016. All Rights Reserved.