scholarly journals Semistochastic Heat-Bath Configuration Interaction Method: Selected Configuration Interaction with Semistochastic Perturbation Theory

2017 ◽  
Vol 13 (4) ◽  
pp. 1595-1604 ◽  
Author(s):  
Sandeep Sharma ◽  
Adam A. Holmes ◽  
Guillaume Jeanmairet ◽  
Ali Alavi ◽  
C. J. Umrigar
Keyword(s):  
Perturbation Theory ◽  
Configuration Interaction ◽  
Heat Bath ◽  
Interaction Method ◽  
Configuration Interaction Method

scholarly journals Calculation of Polarizabilities for Atoms with Open Shells

Symmetry ◽  
2020 ◽  
Vol 12 (12) ◽  
pp. 1950
Author(s):  
Vladimir Dzuba
Keyword(s):  
Perturbation Theory ◽  
Excited States ◽  
Configuration Interaction ◽  
New Physics ◽  
Atomic Clocks ◽  
Interaction Method ◽  
Configuration Interaction Method ◽  
Open Shells ◽  
New Generation ◽  
Dynamic Polarizabilities

A version of the configuration interaction method for atoms with open shells (the Configuration Interaction with Perturbation Theory—CIPT method, PRA 95, 012503 (2017)) is extended for calculation of static and dynamic polarizabilities. Its use is demonstrated by calculation of the polarizabilities for the ground and excited states of Er, Tm and Yb. It is proved to be an useful tool in designing a new generation of optical atomic clocks sensitive to new physics.

scholarly journals Almost exact energies for the Gaussian-2 set with the semistochastic heat-bath configuration interaction method

2020 ◽  
Vol 153 (12) ◽  
pp. 124117 ◽  
Author(s):  
Yuan Yao ◽  
Emmanuel Giner ◽  
Junhao Li ◽  
Julien Toulouse ◽  
C. J. Umrigar
Keyword(s):  
Configuration Interaction ◽  
Heat Bath ◽  
Interaction Method ◽  
Configuration Interaction Method
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