Presentation Type
Oral Presentation
Mentor/Supervising Professor Name
Andrianarijaona, Vola
Abstract (Description of Research)
Southern Adventist University’s Beamline for Ionic and Neutral Collisions (BLINC) is investigating the interactions between hydrogen molecules and fusion particles. To perform in-house theoretical calculations, the BLINC Theory and Analysis Group is testing Psi4 as a viable computational method for BLINC fusion research. Successful calculations of the potential energy curves and dissociation energies of H2 and H2+ have been completed and compared to known values. Preliminary results align with known values, demonstrating Psi4’s potential for BLINC research. Future work will focus on the vibrational energies, wavefunctions, and transition probabilities of H2 and H2+.
Included in
Atomic, Molecular and Optical Physics Commons, Computational Chemistry Commons, Physical Chemistry Commons, Plasma and Beam Physics Commons, Quantum Physics Commons
Calculating Potential Energy Curves of Molecular Hydrogen and its Ion using Psi4 for BLINC Fusion Applications*
Southern Adventist University’s Beamline for Ionic and Neutral Collisions (BLINC) is investigating the interactions between hydrogen molecules and fusion particles. To perform in-house theoretical calculations, the BLINC Theory and Analysis Group is testing Psi4 as a viable computational method for BLINC fusion research. Successful calculations of the potential energy curves and dissociation energies of H2 and H2+ have been completed and compared to known values. Preliminary results align with known values, demonstrating Psi4’s potential for BLINC research. Future work will focus on the vibrational energies, wavefunctions, and transition probabilities of H2 and H2+.