从头算两态势能面  ab initio potential energy surface of two electronic states

ab从头算  ab initio calculation

从头算  ab initiocalculation; ab initio; ab ini4; ab initio MO calculation; Ab initio method; ab initio MO; Ab-initio; Ab intio; Ab mitio; Ah initio calculation; ab initio calculation; Ah initio; ab-initio calculation; ab intio Calculation; Ab initio calculations; hydrogen model chain; ab initio calculation method; density function; Keywordab initio calculation; b initio calculation; ab initlo

从头算(abinitio)  ab initio

从头算CASSCF  ab initio CASSCF

从头算DFT B3LYP法  DFT B3LYP

从头算HF方法  Ab initio HF method

从头算法  ab initio; Ab initio study; ab initio calculation; Ab-initio; ab inition; Ab initio method

从头算法(abinition算法)  ab inition algorithm

从头算方法  Ab initio UMP2 method; ab initio calculation; Ab initio study; ab initio; Ab initio method

从头算方法(abinitio)  ab initio

从头算分子动力学  ab initio molecular dynamics; Ab initio molecular dynamic

从头算分子动力学AIMD  ab initio molecular dynamics AIMD

从头算分子轨道法  Ab initio Mo method; ab initio MO calculation

从头算理论方法  ab initio theoretical method

从头算研究  Ab initio Investigation; Ab initio study

分子轨道从头算  Ab Inition of Molecular Orbit; Ab initio calculations

高级从头算  High-level ab initio

近似从头算  Approximate calculation