Entanglement of the molecular photodissociation products at avoided crossings and conical intersections

2018 ◽  
Vol 515 ◽  
pp. 60-70
Author(s):  
Sergy Yu. Grebenshchikov ◽  
David Picconi
Keyword(s):  
Conical Intersections ◽  
Avoided Crossings ◽  
Molecular Photodissociation

State-interaction pair density functional theory for locally avoided crossings of potential energy surfaces in methylamine

2019 ◽  
Vol 21 (25) ◽  
pp. 13486-13493 ◽  
Author(s):  
Chen Zhou ◽  
Laura Gagliardi ◽  
Donald G. Truhlar
Keyword(s):  
Density Functional Theory ◽  
Potential Energy Surfaces ◽  
Density Functional ◽  
State Interaction ◽  
Conical Intersections ◽  
Functional Theory ◽  
Strong State ◽  
Pair Density ◽  
Avoided Crossings ◽  
Energy Surfaces

State-interaction pair-density functional theory agrees well with extended MS-CASPT2 in regions of strong state coupling near conical intersections.

scholarly journals Role of Conical Intersections on the Efficiency of Fluorescent Organic Molecular Crystals

2021 ◽  
Vol 125 (4) ◽  
pp. 1012-1024
Author(s):  
Miguel Rivera ◽  
Ljiljana Stojanović ◽  
Rachel Crespo-Otero
Keyword(s):  
Molecular Crystals ◽  
Conical Intersections ◽  
Organic Molecular Crystals
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