Related Experiment Video
Updated: Jun 30, 2025

Excitonic Hamiltonians for Calculating Optical Absorption Spectra and Optoelectronic Properties of Molecular Aggregates and Solids
Published on: May 27, 2020
Sonification of molecular electronic energy density and its dynamics
Yasuki Arasaki1, Kazuo Takatsuka1
1Fukui Institute for Fundamental Chemistry, Kyoto University 606-8103 Kyoto Japan yasuki.arasaki@fukui.kyoto-u.ac.jp kaztak@fukui.kyoto-u.ac.jp.
Abstract:
A method is proposed for sonification of the molecular electronic energy density. The characteristic energetic structures of the individual complicated electronic wavefunctions are extracted in terms of the Energy Natural Orbitals (ENO), which are the eigenfunctions of the electronic energy density operator [K. Takatsuka and Y. Arasaki, J. Chem. Phys., 2021, 154, 094103]. Then, the frequency corresponding to each ENO energy is linearly transformed to the audible range. The time-variation of the population of the ENO serves as the volume (amplitude) of the sound. We demonstrate the sonification and associated voiceprints for a couple of very basic chemical bondings, from across an avoided crossing, and from the bond dissociation of a cluster.
More Related Videos
Related Concept Videos
Molecular Spectroscopy: Absorption and Emission
IR Spectroscopy: Hooke's Law Approximation of Molecular Vibration
According to Hooke's law, the vibrational frequency is directly proportional to...
IR Spectroscopy: Molecular Vibration Overview
Stretching vibrations are vibrational motions that occur along the bond line, changing the bond length or distance between two bonded atoms. They are further distinguished as symmetric or asymmetric. In symmetric stretching, the...
Molecular Orbital Theory I
The Quantum-Mechanical Model of an Atom
Molecular Kinetic Energy

