This is also called the atomic orbital method, or the VB method for short. It is an approximate calculation method for calculating covalent bond energy quantum mechanically. It was first applied to the energy calculation of hydrogen molecules in 1927 by W. Heitler and F. London. Another method of dealing with molecular mechanics is the molecular orbital method (MO method). The valence bond method starts with individual atoms and then considers interatomic interactions to construct a wave function that shows the electronic state of a molecule, whereas the molecular orbital method considers orbitals distributed over the entire bonded atomic nucleus. Source: Encyclopaedia Britannica Concise Encyclopedia About Encyclopaedia Britannica Concise Encyclopedia Information |
原子軌道関数法,または略して VB法ともいう。量子力学的に共有結合エネルギーを求めるための近似計算法の1つ。 1927年 W.ハイトラー,F.ロンドンにより水素分子のエネルギー計算に初めて適用された。分子量子力学の取扱いにはこのほかに分子軌道法 (MO法) がある。分子の電子状態を示す波動関数を組立てるのに,原子価結合法ではまず個々の原子を出発点として,次に原子間相互作用を考えるのに対し,分子軌道法は結合している原子核全体に分布する軌道を考えるところにその特徴がある。
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