What is it about?

The work brings a methodology that reveals and helps to clearly understand the internal structure of complicated multidimensional wave functions. It is demonstrated on vibrationally excited states of ammonia. Why is ammonia complicated? Apart from its vibrational tunneling motion, there are 4 vibrational modes, 2 of which are 2-dimensional!

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Why is it important?

This work shows that excited states of many-dimensional vibrational systems are decomposable into clearly distinguishable modal contributions. The excitations of individual modes form regular and peculiar patterns that could be clearly recognizable in at least hundreds of vibrationally excited states of ammonia. This finding enables fast and precise recognition of individual states as well as revealing relations between them.

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This page is a summary of: Understanding the structure of complex multidimensional wave functions. A case study of excited vibrational states of ammonia, The Journal of Chemical Physics, April 2021, American Institute of Physics, DOI: 10.1063/5.0043946.
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