A general code for fitting global potential energy surfaces via CHIPR method: Direct-Fit Diatomic and tetratomic molecules
C. M. R. Rocha, A. J. C. Varandas
Topics & Concepts
Diatomic moleculePotential energyAb initioFortranPotential energy surfaceAnsatzPseudorotationSubroutinePhysicsComputer scienceQuantum mechanicsMoleculeOperating systemAdvanced Chemical Physics StudiesSpectroscopy and Quantum Chemical StudiesMolecular spectroscopy and chirality