Nonrelativistic energy of tritium-containing hydrogen molecule isotopologues

TL;DR

This paper calculates the nonrelativistic energies of low-lying rovibrational levels of tritium-containing hydrogen molecules with unprecedented precision, significantly improving the accuracy of transition energy predictions.

Contribution

It introduces highly accurate variational calculations of energy levels for HT, DT, and T2 molecules using four-body nonadiabatic functions, enhancing precision by several orders of magnitude.

Findings

Energy levels determined with $10^{-7}-10^{-8}$ cm$^{-1}$ accuracy

Transition energies improved by at least an order of magnitude

Method demonstrates high precision in molecular energy calculations

Abstract

The nonrelativistic energy of low lying rovibrational levels of HT, DT, and \T\ is determined to an absolute accuracy of $10^{-7}-10^{-8}$ cm$^{-1}$ using the variational method with the four-body nonadiabatic James-Coolidge functions. The new results increase the accuracy of the nonrelativistic component of the energy levels by several orders of magnitude. As a consequence, the total transition energies are improved by at least an order of magnitude.