# Electronic structure and time-dependent description of rotational predissociation of LiH

## TL;DR

This paper calculates the electronic structure of LiH, compares it with experimental data, and studies the rotational predissociation dynamics of the $1^1\Pi$ state using time-dependent quantum mechanics.

## Contribution

It provides detailed adiabatic potential energy curves for LiH and models the rotational predissociation process with time-dependent Schrödinger equation analysis.

## Key findings

- Good agreement with experimental spectroscopic parameters.
- Detailed explanation of Velasco's classical dissociation experiment.
- Insights into the dynamics of rotational predissociation in LiH.

## Abstract

Adiabatic potential energy curves of the $^1\Sigma^+$ and $^1\Pi$ states of the LiH molecule have been calculated. They correlate asymptotically to atomic states, like 2s+1s, 2p+1s, 3s+1s, 3p+1s, 3d+1s, 4s+1s, 4p+1s and 4d+1s. Very good agreement is found between our calculated spectroscopic parameters and experimental ones. The dynamics of the rotational predissociation process of the $1^1\Pi$ state has been studied by solving the time-dependent Schr\"{o}dinger equation. The classical experiment of Velasco [Can. J. Phys. {35}, 1204 (1957)] on dissociation in the $1^1\Pi$ state is explained in detail.