Literature DB >> 22380046

Ab initio properties of MgAlk (Alk = Li, Na, K, Rb, Cs).

L Augustovičová1, P Soldán.   

Abstract

High level ab initio calculations are performed on the ground electronic state of diatomic molecules MgAlk (Alk = Li, Na, K, Rb, Cs). Potential energy curves and dipole moment functions are determined making use of the single-reference unrestricted and restricted coupled-cluster methods with large basis sets. Basic spectroscopic properties of the ground electronic states are derived from ro-vibrational bound state calculations.

Entities:  

Year:  2012        PMID: 22380046     DOI: 10.1063/1.3690459

Source DB:  PubMed          Journal:  J Chem Phys        ISSN: 0021-9606            Impact factor:   3.488


  3 in total

1.  Laser Cooling with an Intermediate State and Electronic Structure Studies of the Molecules CaCs and CaNa.

Authors:  Amal Moussa; Nayla El-Kork; Israa Zeid; Ehab Salem; Mahmoud Korek
Journal:  ACS Omega       Date:  2022-05-24

2.  Investigation of the RbCa molecule: Experiment and theory.

Authors:  Johann V Pototschnig; Günter Krois; Florian Lackner; Wolfgang E Ernst
Journal:  J Mol Spectrosc       Date:  2015-04       Impact factor: 1.507

3.  Spectroscopy of cold LiCa molecules formed on helium nanodroplets.

Authors:  Günter Krois; Johann V Pototschnig; Florian Lackner; Wolfgang E Ernst
Journal:  J Phys Chem A       Date:  2013-10-01       Impact factor: 2.781

  3 in total

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