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Title: Effects of spin-orbit coupling on laser cooling of BeI and MgI

We present the ab initio study of spin-orbit coupling effects on laser cooling of BeI and MgI molecules. Potential energy curves for the X{sup 2}Σ{sup +}{sub 1/2}, A{sup 2}Π{sub 1/2,3/2}, and 2{sup 2}Π{sub 3/2,1/2} states are calculated using multi-reference configuration interaction method plus Davidson corrections. Spectroscopic parameters of BeI and MgI are in excellent agreement with available experimental and theoretical values. The A{sup 2}Π{sub 3/2} state of MgI is a repulsive state. It is an unsuitable scheme for the A{sup 2}Π{sub 3/2}(υ′)← X{sup 2}Σ{sup +}{sub 1/2} (υ″) transition for laser cooling of MgI. Highly diagonally distributed Franck-Condon factors f{sub 00} for the A{sup 2}Π{sub 1/2,3/2} (υ′ = 0) ← X{sup 2}Σ{sup +}{sub 1/2} (υ″ = 0) transitions and suitable radiative lifetimes τ for the A{sup 2}Π{sub 1/2,3/2} (υ′ = 0) of BeI and MgI are obtained. Three laser wavelength drives are required for the A{sup 2}Π{sub 1/2,3/2}(υ′)←X{sup 2}Σ{sup +}{sub 1/2} (υ″) transitions of BeI and MgI. The proposed cooling wavelengths of BeI and MgI are both in the violet region. The results imply the feasibility of laser cooling of BeI and MgI, and that laser cooling of BeI is more possible.
Authors:
; ; ;  [1] ;  [2] ;  [3]
  1. Computational Physics Key Laboratory of Sichuan Province, Yibin University, Yibin 644007 (China)
  2. College of Optoelectronic Technology, Chengdu University of Information Technology, Chengdu 610225 (China)
  3. College of Physical Science and Technology, Yangtze University, Jingzhou 434023 (China)
Publication Date:
OSTI Identifier:
22493161
Resource Type:
Journal Article
Resource Relation:
Journal Name: Journal of Chemical Physics; Journal Volume: 143; Journal Issue: 16; Other Information: (c) 2015 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY; CONFIGURATION INTERACTION; COOLING; CORRECTIONS; DIAGRAMS; LASERS; L-S COUPLING; MOLECULES; POTENTIAL ENERGY; WAVELENGTHS