Lie-algebra contraction approach to problems of molecular symmetry: The double-potential-minimum problem

Journal Article · Fri Apr 01 00:00:00 EST 2005 · Physical Review. A

DOI:https://doi.org/10.1103/PhysRevA.71.042502· OSTI ID:20653296

Russell, Douglas K ^[1]

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1. Department of Chemistry, University of Auckland, Private Bag 92019, Auckland (New Zealand)

The applicability of an approach to the calculation of tunneling splittings in a one-dimensional potential with symmetrically disposed minima is presented. The method is based on the concept of contraction of a Lie algebra [Mol. Phys. 93, 441 (1998)], recently extended to encompass the case where more than one symmetry-related minima is present. The method is validated against highly precise published calculations using other approaches and also against the tunneling energy levels of lower inversion vibrational levels in NH{sub 3}.

• OSTI ID: 20653296
• Journal Information: Physical Review. A, Vol. 71, Issue 4; Other Information: DOI: 10.1103/PhysRevA.71.042502; (c) 2005 The American Physical Society; Country of input: International Atomic Energy Agency (IAEA); ISSN 1050-2947
• Country of Publication: United States
• Language: English

Related Subjects

74 ATOMIC AND MOLECULAR PHYSICS
AMMONIA
LIE GROUPS
MOLECULAR STRUCTURE
ONE-DIMENSIONAL CALCULATIONS
POTENTIALS
SYMMETRY
TUNNEL EFFECT
VIBRATIONAL STATES