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The valence and Rydberg states of dienes
Jiaxin Ning,
Donald G. Truhlar
Chemistry (Twin Cities)
Research output
:
Contribution to journal
›
Article
›
peer-review
5
Scopus citations
Overview
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Dive into the research topics of 'The valence and Rydberg states of dienes'. Together they form a unique fingerprint.
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Keyphrases
Dienes
100%
CASPT2
100%
Valence State
100%
Rydberg States
100%
Pair Density Functional Theory
75%
Multi-configuration
75%
Excited States
50%
Excitation Energy
50%
Complete Active Space Self-consistent Field (CASSCF)
50%
Electronic Structure
25%
Density Functional Theory
25%
Valence
25%
Electronic Excitation Energy
25%
Second-order Perturbation Theory
25%
1,4-cyclohexadienes
25%
1,3-cyclohexadiene
25%
Double Bond
25%
Challenging Tasks
25%
Energy-based
25%
Second Moment
25%
Comparison Experiment
25%
Quantum Mechanical Calculations
25%
Active Space
25%
Diffuseness
25%
Through-space Interactions
25%
Through-bond
25%
Complete Active Space
25%
Rydberg Excitation
25%
Special Characteristic
25%
Rydberg Orbitals
25%
Chemistry
Density Functional Theory
100%
Rydberg State
100%
Excited State
66%
Cyclohexadiene
66%
CASSCF Calculation
66%
Electronic State
33%
Electronic Excitation
33%
k·p perturbation theory
33%
Through-Space Interaction
33%
Double Bond
33%
Perturbation Theory
33%