The most common approximation to the vibrational partition function uses a model in which the vibrational eigenmodes or vibrational normal modes of the system are considered to be a set of uncoupled quantum harmonic oscillators. It is a first order approximation to the partition function which allows one to calculate the contribution of the vibrational degree of freedom of molecules towards thermodyanmic variables. A quantum harmonic oscillator has an energy spectrum characterized by:
where j is an index representing the vibrational mode, and i is the quantum number for each energy level of the jth vibrational mode. The vibrational partition function is then calculated as:
New Molecular and Biomolecular Spectroscopy Study Findings Have Been Reported by V. Balachandran and Colleagues
Feb 12, 2013; By a News Reporter-Staff News Editor at Life Science Weekly -- Investigators publish new report on Molecular and Biomolecular...