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A theoretical study of the ground state and lowest excited states of PuO
0/+/+2
and PuO
2
0/+/+2
Giovanni La Macchia
, Ivan Infante
, Juraj Raab
, John K. Gibson
,
Laura Gagliardi
Chemistry (Twin Cities)
Research output
:
Contribution to journal
›
Article
›
peer-review
40
Scopus citations
Overview
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Dive into the research topics of 'A theoretical study of the ground state and lowest excited states of PuO
0/+/+2
and PuO
2
0/+/+2
'. Together they form a unique fingerprint.
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Keyphrases
Ionization Energy
100%
Low-lying Excited States
100%
PuO2
66%
Excited States
33%
Spin-orbit Coupling
33%
Multiconfigurational
33%
Second-order Perturbation Theory
33%
Experimental Values
33%
CASPT2
33%
Complete Active Space Self-consistent Field (CASSCF)
33%
Relativistic Spin
33%
Lower End
33%
Quantum Chemical Methods
33%
Scalar Relativistic Effect
33%
Chemistry
Excited State
100%
Ground State
100%
Ionization Potential
100%
k·p perturbation theory
33%
CASSCF Calculation
33%
Spin-Orbit Coupling
33%
Chemical Method
33%
Perturbation Theory
33%