中文摘要：

基于电子的粒子性特征提出了“瞬态”的概念，并认为瞬态出现的频次正比于瞬态寿命，且分子稳定状态的电子密度分布是各种瞬态按照各自的瞬态寿命叠加的体现．依据瞬态寿命正比于瞬态出现频次的构想，把势能看成各种不同瞬态寿命的函数，给出了在已知的电子密度分布和原子核坐标数据限制下通过调整瞬态寿命参数获得势能极值的方法,这一方法可为分子体系能量极值的计算提供新的启示。

英文摘要：

The idea of ＂instantaneous state＂ is proposed based on the wave-particle duality ide- a of the electrons. A new energy computation method based on instantaneous state is designed ac- cording to the fact that the duration time of a micro-state is directly proportional to the occurrence frequency of the micro-state. In the molecule energy computational method of this article, the real state （or equilibrium state） is regarded ent duration time. The molecule energy as the average of all possible instantaneous states with differis the function of the duration time of all possible instantane- ous states. The extreme values of the molecule energy can be obtain by the alteration of the duration times under the constraint of the given electron density and nuclear positions. The idea of this article can provide some new inspiration for the computation of the molecule energy.