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Revealing electronic open quantum systems with subsystem TDDFT
Alisa Krishtal
, Michele Pavanello
Chemistry and Environmental Science
Research output
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Contribution to journal
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Article
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peer-review
17
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Chemistry
Computer Simulation
50%
Condensed Phase
50%
Density Functional Theory
100%
Density Matrix
50%
dimer
50%
Donor
100%
Electron Density
50%
electronics
100%
Excimer
50%
Time-Dependent Density Functional Theory
50%
Keyphrases
Chemical Applications
20%
Condensed Phase
20%
Density Functional Theory
20%
Density Matrix
20%
Donor-acceptor
20%
Donor-bridge-acceptor Systems
20%
Electron Density
20%
Electronic System
20%
Matrix Partition
20%
Molecular Dimers
20%
Non-Markovian
20%
Non-Markovian Dynamics
20%
Numerical Simulation
20%
Open Quantum Systems
100%
Phase System
20%
Solvate
20%
Subsystem Density Functional Theory
20%
Subsystem DFT
100%
Superexchange
20%
System-bath
40%
Systems-based
20%
Time-dependent Density Functional Theory
20%
Transport Mechanism
20%
Computer Science
Carrier Concentration
50%
Computational Simulation
50%
Density Functional Theory
100%
Electronic System
50%
Numerical Simulation
50%
Time-Dependent Density Functional Theory
50%
Physics
Density Functional Theory
40%
Electron Density
20%
Excimer
20%
Numerical Simulation
20%
Open Quantum Systems
100%
Time-Dependent Density Functional Theory
20%
Transportation
20%
Mathematics
Computer Simulation
20%
Density Functional
60%
Density Matrix
20%
Phase System
20%
Quantum System
100%
Material Science
Carrier Concentration
25%
Density
100%