* Corresponding authors

^a Department of Chemistry, Department of Physics and Astronomy, CMS – Center for Molecular Simulation, IQST – Institute for Quantum Science and Technology, Quantum Alberta, University of Calgary, 2500 University Drive NW, Calgary, Alberta, Canada
E-mail: mosayeb.naseri@ucalgary.ca, dsalahub@ucalgary.ca

^b Department of Physics, Kermanshah Branch, Islamic Azad University, Kermanshah, Iran

^c Faculty of Mechanical–Electrical and Computer Engineering, School of Engineering and Technology, Van Lang University, Ho Chi Minh City, Vietnam
E-mail: tuan.vu@vlu.edu.vn

^d Laboratoire de Physique des Matériaux et Modélisations des Systèmes, (LP2MS), Unité Associée au CNRST-URAC 08, Faculty of Sciences, Department of Physics, Moulay Ismail University, Meknes, Morocco