Potential energy and dipole moment surfaces of HCO− for the search of H− in the interstellar medium
Abstract
Potential energy and permanent dipole moment surfaces of the electronic ground state of formyl negative ion HCO− are determined for a large number of geometries using the coupled-cluster theory with single and double and perturbative treatment of triple excitations ab initio method with a large basis set. The obtained data are used to construct interpolated surfaces, which are extended analytically to the region of large separations between CO and H− with the multipole expansion approach. We have calculated the energy of the lowest rovibrational levels of HCO− that should guide the spectroscopic characterization of HCO− in laboratory experiments. The study can also help to detect HCO− in the cold and dense regions of the interstellar medium where the anion could be formed through the association of abundant CO with still unobserved H−.
Document Details
- Document Type
- Pub Defense Publication
- Publication Date
- Jun 14, 2012
- Source ID
- 10.1063/1.4724096
Entities
People
- D. Babikov
- I. Mikhailov
- M. Ayouz
- M. Raoult
- O. Dulieu
- S. Galtier
- V. Kokoouline
Organizations
- Air Force Office of Scientific Research
- Marquette University
- National Science Foundation
- United States Department of Energy
- University of Central Florida
- University of Paris-Sud