• 作者： 張燕婷; 蘇志明
• 作者服務機構： 國立臺灣大學化學系
• 中文摘要： 本文將一般以轉動一振動光譜來計算雙原子分子位能曲線的RKR方法，推廣至二階的JWKB估計項。利用此法分別計算硒及一氧化碳兩種分子的位能曲線，並與一階的RKR法比較之後，證明對硒及一氧化碳兩種分子而言，忽略了二階JWKB項，乃是產生誤差的主要原因“
• 英文摘要： The RKR method of obtaining the diatomic potential curves from ro-vibrational spectroscopic datawas generalized to include the second order JWKB approximation. The new procedure was employed tocalculate the potentials of selenium and carbon monoxide molecules. Comparison was made between thefirst and second order RKR potentials. These calculations directly demonstrated that the deviations of thestandard RKR potentials of selenium and carbon monoxide molecules mainly come from the second orderJWKB approximation term.
• 中文關鍵字： RKR method; second order JWKB approximation; ro-vibrational spectroscopic data; Kaiser correction; Dunham relation
• 英文關鍵字： --