• 제목/요약/키워드: anharmonic oscillator

검색결과 5건 처리시간 0.023초

ON THE COMPUTATION OF EIGENVALUE BOUNDS OF ANHARMONIC OSCILLATOR USING AN INTERMEDIATE PROBLEM METHOD

  • Lee, Gyou-Bong;Lee, Ok-Ran
    • Journal of applied mathematics & informatics
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    • 제9권1호
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    • pp.321-330
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    • 2002
  • We apply an Intermediate Problem Method to compute eigenvalues of an anharmonic oscillator. The method produces lower bounds to the eigenvalues while the Rayleigh-Ritz method yields upper bounds. We show the convergence rate of the Intermediate Problem Method is the same as the rate of the Rayleigh-Ritz method.

Numerical Calculation of Vibrational Transition Probability for the Forced Morse Oscillator by Use of the Anharmonic Boson Operators

  • 이창순;김유항
    • Bulletin of the Korean Chemical Society
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    • 제22권7호
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    • pp.721-726
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    • 2001
  • The vibrational transition probability expressions for the forced Morse oscillator have been derived using the commutation relations of the anharmonic Boson operators. The formulation is based on the collinear collision model with the exponential repulsive potential in the framework of semiclassical collision dynamics. The sample calculation results for H2+ He collision system, where the anharmonicity is large, are in excellent agreement with those from an exact, numerical quantum mechanical study by Clark and Dickinson, using the reactance matrix. Our results, however, are markedly different from those of Ree, Kim and Shin's in which they approximate the commutation operator I。 as unity, the harmonic oscillator limit. We have concluded that the quantum number dependence in I。 must be retained to get accurate vibrational transition probabilities for the Morse oscillator.

비조화 진동자 진동에너지 계산에 적합한 DVR 계산 변수 결정 (Range of DVR parameters for the Calculation of Vibrational Energy of Anharmonic Oscillators)

  • 전기영;양민오
    • 대한화학회지
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    • 제60권3호
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    • pp.163-168
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    • 2016
  • 비조화진동자의 진동에너지와 파동함수를 수치적으로 간단히 계산할 수 있는 Discrete Variable Representation 방법을 요약하고, Morse 진동자를 모형으로 활용하여 실제 분자계의 기본전이 및 들뜬 전이에너지를 구하는데 적용할 수 있는 최적의 변수 범위를 예측하였다.