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Can I read Accurate potential energy functions and non-adiabatic couplings in the Mg + H system on EtoBox?
Accurate potential energy functions and non-adiabatic couplings in the Mg + H system by M. Guitou; A. Spielfiedel; N. Feautrier is a Physics and Astronomy article available to read on EtoBox.
What is Accurate potential energy functions and non-adiabatic couplings in the Mg + H system about?
Potential energy functions of the MgH molecule are investigated by the MRCI method using large active space and basis sets. The calculations are performed up to the Mg(3s3d,1D) + H dissociation limit. The molecular constants compare well with the available data. The dipole moment functions exhibit a series of crossings due to the strong interactions between the states. Radial and rotational couplings among these states are also calculated, with a state-averaged MCSCF approach. This work will enable calculations of collisional cross sections and rate coefficients, important for the modelling of stellar spectra when collisions compete with radiative processes in non-LTE conditions.
Who reads Accurate potential energy functions and non-adiabatic couplings in the Mg + H system?
It is typically read by researchers, students, and practitioners in Physics and Astronomy.
- Author
- M. Guitou; A. Spielfiedel; N. Feautrier
- Publisher
- Elsevier Science; Elsevier ; Elsevier BV (ISSN 0009-2614)
- Published
- 2010
- Language
- EN
- Field
- Physics and Astronomy (Physical Sciences)