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What is 1985JCP about?

The document presents a semiclassical approach for evaluating vibronic transitions in large anharmonic molecules, addressing the limitations of existing methods. The authors develop a technique that generates quantized transition probabilities using energy representations, demonstrating its effectiveness through test cases like the simulation of the X-B transition in I2. The method shows excellent agreement with quantum mechanical results and offers insights into line broadening mechanisms in anharmonic sys

Author

GigaTsai

Language

EN