excitedstates相关论文
GVV/BSE Nonadiabatic Dynamics Simulations on Excited-State Relaxation Processes of Zinc Phthalocyani
In this work,we employ electronic structure calculations and nonadia-batic dynamics simulations based on many-body Green......
Two-dimensional[2D]perovskites exhibit broadband emission due to strong exciton-phonon coupling-induced self-trapped exc......
Recent developments in Coupled-Cluster (CC) theory of excited states, which allow the application of these expensive met......
Aromaticity is a fundamental concept with ever-increasing diversities in chemistry.According to Hückels and Bairds rule......
A TDDFT Approach for Calculating Frequency Dependent Polarizabilities and Excitation Energies with N
Time dependent density functional theory(TDDFT)is a useful tool to calculate molecular properties with reasonable comput......
提出一种用Ar 激光光解Cs2分子，从而得到Cs原子52D，62P态集居的光谱实验方法，并讨论了各种实验参数对原子集居数的影响。......
Two-dimensional (2D) perovskites exhibit broadband emission due to strong exciton–phonon coupling-induced self-trapped ......
以6-311 G(3df,3pd)为基组,采用B3LYP方法研究了不同外电场(-0.05～0.05 a.u.)对CHF=CHF基态分子的几何参数、总能量、电偶极矩、电......
对V型三能级原子系统与双激光场同时共振产生的能级相干效应进行了研究。计算了各能级上的粒子数分布，实验观测到在相干驻波场中的......
The entire 23 A-S electronic states of BN are calculated with high-level ab initio electronic structure internally contr......
会议
We construct a family of solutions of the holographic insulator/superconductor phase transitions with the excited states......
Small-molecule based thermally activated delayed fluorescence materials with dual-emission character
Organic thermally activated delayed fluorescence (TADF) emitters have attracted increasing concerns,owing to their atypi......
采用ａｂｉｎｉｔｉｏＣＩ方法对ＬｉＢ的激发态进行了计算，其热能曲线表明ａΠ，Π和＾１Σ＾＋态均对应于原子基态解离遂道，（２）＾１Σ＾＝对应于原子激发态解离隧道，这些态都是束缚态，＾３Π......
