EQUATION-OF-MOTION COUPLED-CLUSTER CALCULATIONS OF PHOTODETACHMENT CROSS SECTIONS FOR ATOMIC NEGATIVE IONS ACROSS THE PERIODIC TABLE

2016 ◽  
Author(s):  
Takatoshi Ichino ◽  
John Stanton ◽  
Lan Cheng
Keyword(s):  
Cross Sections ◽  
Periodic Table ◽  
Negative Ions ◽  
Equation Of Motion ◽  
Coupled Cluster ◽  
Cluster Calculations ◽  
Atomic Negative Ions ◽  
Coupled Cluster Calculations

scholarly journals Towards a rational design of laser-coolable molecules: insights from equation-of-motion coupled-cluster calculations

2019 ◽  
Vol 21 (35) ◽  
pp. 19447-19457 ◽  
Author(s):  
Maxim V. Ivanov ◽  
Felix H. Bangerter ◽  
Anna I. Krylov
Keyword(s):  
Rational Design ◽  
Information Science ◽  
Equation Of Motion ◽  
Coupled Cluster ◽  
Quantum Information Science ◽  
Cold Molecules ◽  
Cluster Calculations ◽  
New Sensors ◽  
New Phenomena ◽  
Coupled Cluster Calculations

Access to cold molecules is critical for quantum information science, design of new sensors, ultracold chemistry, and search of new phenomena.

scholarly journals Bound and continuum-embedded states of cyanopolyyne anions

2018 ◽  
Vol 20 (7) ◽  
pp. 4805-4817 ◽  
Author(s):  
Wojciech Skomorowski ◽  
Sahil Gulania ◽  
Anna I. Krylov
Keyword(s):  
Excited States ◽  
Equation Of Motion ◽  
Coupled Cluster ◽  
Cluster Calculations ◽  
Coupled Cluster Calculations

Equation-of-motion coupled-cluster calculations reveal systematic trends across bound and continuum-embedded excited states in cyanopolyyne anions.

Toward Enabling Large-Scale Open-Shell Equation-of-Motion Coupled Cluster Calculations: Triplet States of β-Carotene

2014 ◽  
Vol 118 (39) ◽  
pp. 9087-9093 ◽  
Author(s):  
Han-Shi Hu ◽  
Kiran Bhaskaran-Nair ◽  
Edoardo Aprà ◽  
Niranjan Govind ◽  
Karol Kowalski
Keyword(s):  
Large Scale ◽  
Open Shell ◽  
Equation Of Motion ◽  
Coupled Cluster ◽  
Triplet States ◽  
Cluster Calculations ◽  
Shell Equation ◽  
Β Carotene ◽  
Coupled Cluster Calculations
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