Correlated-Participating-Orbitals Pair-Density Functional Method and Application to Multiplet Energy Splittings of Main-Group Divalent Radicals.
about
Multiconfiguration pair-density functional theory for doublet excitation energies and excited state geometries: the excited states of CN.Systematic design of active spaces for multi-reference calculations of singlet-triplet gaps of organic diradicals, with benchmarks against doubly electron-attached coupled-cluster data.Spin-Multiplet Components and Energy Splittings by Multistate Density Functional Theory.Predicting bond dissociation energy and bond length for bimetallic diatomic molecules: a challenge for electronic structure theory.
P2860
Correlated-Participating-Orbitals Pair-Density Functional Method and Application to Multiplet Energy Splittings of Main-Group Divalent Radicals.
description
2016 nî lūn-bûn
@nan
2016年の論文
@ja
2016年論文
@yue
2016年論文
@zh-hant
2016年論文
@zh-hk
2016年論文
@zh-mo
2016年論文
@zh-tw
2016年论文
@wuu
2016年论文
@zh
2016年论文
@zh-cn
name
Correlated-Participating-Orbit ...... Main-Group Divalent Radicals.
@en
Correlated-Participating-Orbit ...... Main-Group Divalent Radicals.
@nl
type
label
Correlated-Participating-Orbit ...... Main-Group Divalent Radicals.
@en
Correlated-Participating-Orbit ...... Main-Group Divalent Radicals.
@nl
prefLabel
Correlated-Participating-Orbit ...... Main-Group Divalent Radicals.
@en
Correlated-Participating-Orbit ...... Main-Group Divalent Radicals.
@nl
P50
P356
P1476
Correlated-Participating-Orbit ...... Main-Group Divalent Radicals.
@en
P2093
Junwei Lucas Bao
P304
P356
10.1021/ACS.JCTC.6B00569
P577
2016-07-20T00:00:00Z