Review
高分解能分子分光学の最先端 ― スペクトルからポテンシャル曲面へ
2007 年 1 巻 1 号 p. A0012
詳細
2007 年 1 巻 1 号 p. A0012
Two or three-dimensional potential energy surfaces have been determined for open-shell radical complexes, Rare-gas-OH and SH, using. a free-rotor model considering all the couplings between various anagular momenta existing in the radical complexes. Hamiltonian matrices upto 48,000 dimensions have bee numerically diagonalized to obtain ro-vibronic energy levels within accuracies of microwave spectroscopy. All the observed data, including those of isotopomers, OD or SD, and those of excited vibrational states of the OH monomer for the case of Ar-OH, have been successfully fitted, yielding fairly precise 2 or 3-dimensional potential energy surfaces. It is expected that the method could be extended to more complex systems.
