机译:铍原子簇的实用方法:TD-DFT潜在能量表面从平衡到2S - 2P的激发态的解离
Hong Kong Baptist Univ Inst Computat &
Theoret Studies Inst Adv Mat High Performance Cluster Comp Ctr Dept Phys 224 Waterloo Rd Kowloon Tong Hong Kong Peoples R China;
Hong Kong Baptist Univ Inst Computat &
Theoret Studies Inst Adv Mat High Performance Cluster Comp Ctr Dept Phys 224 Waterloo Rd Kowloon Tong Hong Kong Peoples R China;
Hong Kong Baptist Univ Inst Computat &
Theoret Studies Inst Adv Mat High Performance Cluster Comp Ctr Dept Phys 224 Waterloo Rd Kowloon Tong Hong Kong Peoples R China;
Hong Kong Baptist Univ Inst Computat &
Theoret Studies Inst Adv Mat High Performance Cluster Comp Ctr Dept Phys 224 Waterloo Rd Kowloon Tong Hong Kong Peoples R China;
DFT; Time-dependent density-functional theory; Electronic structure calculations; Ab initio; Coupled-cluster theory; Electronic spectroscopy; Beryllium; Tamm-Dancoff approximation; Plume laser-induced fluorescence; Dissociation energy;
机译:铍原子簇的实用方法:TD-DFT潜在能量表面从平衡到2S - 2P的激发态的解离
机译:低激发态势能面的多参考和运动方程耦合簇方法的性能:水的对称和非对称解离
机译:解离N 2 sub>:基态和激发态势能面的多参考耦合聚类研究
机译:不同激发态中铍原子的能量计算(1S〜2 2S 3S),(1S 2S〜2 3S)和(1S 2S 3S〜2)
机译:原子团的动力学和热力学的势能面。
机译:Li(2p)+ H2(X1Σ+ g)→LiH(X1Σ+)+ H反应的整体绝热势能面和量子动力学研究
机译:解离N 2 sub>:基态和激发态势能面的多参考耦合簇研究