scholarly journals Time-Dependent Complete Active Space Embedded in a Polarizable Force Field

2019 ◽  
Vol 15 (3) ◽  
pp. 1633-1641 ◽  
Author(s):  
Hongbin Liu ◽  
Andrew J. Jenkins ◽  
Andrew Wildman ◽  
Michael J. Frisch ◽  
Filippo Lipparini ◽  
...  
Keyword(s):  
Force Field ◽  
Time Dependent ◽  
Polarizable Force Field ◽  
Complete Active Space ◽  
Active Space

scholarly journals Coupling Real-Time Time-Dependent Density Functional Theory with Polarizable Force Field

2017 ◽  
Vol 8 (21) ◽  
pp. 5283-5289 ◽  
Author(s):  
Greta Donati ◽  
Andrew Wildman ◽  
Stefano Caprasecca ◽  
David B. Lingerfelt ◽  
Filippo Lipparini ◽  
...  
Keyword(s):  
Density Functional Theory ◽  
Force Field ◽  
Real Time ◽  
Density Functional ◽  
Time Dependent ◽  
Functional Theory ◽  
Polarizable Force Field ◽  
Dependent Density
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