0180869 - UFCH-W 20000058 RIV NL eng J - Journal Article
Pittner, Jiří - Jungwirth, Pavel
Potential Energy Curves for the Ground and Low-lying Excited States of IBr Calculated with Relativistic Effective Core Potentials and Spin-orbit Interactions.
Chemical Physics Letters. Roč. 321, 3/4 (2000), s. 281-286. ISSN 0009-2614. E-ISSN 1873-4448
R&D Projects: GA AV ČR IAB1010925
Institutional research plan: CEZ:AV0Z4040901; CEZ:A54/98:Z4-040-9-ii
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 2.269, year: 1999

Low-lying potential energy curves of the IBr molecule are calculated by a combination of the equation of motion coupled cluster method and the spin-orbit multiference configuration interaction with single excitatinos, employing in both cases accurate
Permanent Link: http://hdl.handle.net/11104/0001838