论文部分内容阅读
Exciton analysis in many-body wavefunctions:A fresh perspective on excited states exploiting the qua
【机 构】
:
Interdisciplinary Center for Scientific Computing,Ruprecht-Karls University Heidelberg,Germany
【出 处】
:
The 15th ICQC International Congress of Quantum Chemistry(第1
【发表日期】
:
2015年期
其他文献
First-order one-electron properties in the coupled cluster singles and doubles(CCSD)model within div
The formulation and implementation of the first-ordcr onc-clcctron propertics in the coupled cluster singles and doubles(CCSD)model[1] within divide-expand-
会议
Accurate equilibrium molecular structures,relative energetics of the conformers and vibrational properties in the ground electronic state are the mandatory star
会议
The back-bonding phenomenon is commonly understood using molecular orbital diagrams,where filled metal d-orbitals interact with empty ligand π*-orbitals.
会议
Density functional theory(DFT) was very successful,but the approximate exchangecorrelation functional lead to the failure for the prediction of some important m
会议
会议
The discoveries of B40-/0 and B39-(all-boron fullerenes) in 2014 pioneered the route to a new class of boron-based nanostructures.
会议