Calculation of rovibrational eigenstates of H3+ using ScalIT
Author:
Affiliation:
1. Department of Chemistry and Biochemistry, Texas Tech University, Lubbock, Texas 79409, USA
Funder
National Science Foundation
The Robert A. Welch Foundation
Publisher
AIP Publishing
Subject
General Physics and Astronomy
Link
https://aip.scitation.org/doi/pdf/10.1063/5.0047823
Reference85 articles.
1. Observation of the infrared spectrum of H3+at its dissociation limit
2. Calculation of the high angular momentum dissociation limit for H3+ and H2D+
3. Identification of features due to H3+ in the infrared spectrum of supernova 1987A
4. Infrared predissociation spectrum of the H3+ ion. II
5. Sub-microhartree accuracy potential energy surface for H3+ including adiabatic and relativistic effects. I. Calculation of the potential points
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1. A nearly complete treatment of the effect of non-adiabaticity on rovibrational energies of H3+ (Part III);The Journal of Chemical Physics;2024-08-02
2. ExoMol line lists – L: high-resolution line lists of H3+, H2D+, D2H+, and D3+;Monthly Notices of the Royal Astronomical Society;2023-01-09
3. Assigning quantum labels and improving accuracy for the ro-vibrational eigenstates of H3+ calculated using ScalIT;Frontiers in Physics;2022-10-04
4. Hitting the Trifecta: How to Simultaneously Push the Limits of Schrödinger Solution with Respect to System Size, Convergence Accuracy, and Number of Computed States;Journal of Chemical Theory and Computation;2021-11-11
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