Related Experiment Video
Updated: Jul 19, 2026

Analyzing Melts and Fluids from Ab Initio Molecular Dynamics Simulations with the UMD Package
Published on: September 17, 2021
Universal scaling features of spectroscopic constants for diatomic systems
Rui-Hua Xie1, Michael C Heaven
1Cherry L. Emerson Center for Scientific Computation, Emory University, Atlanta, GA 30322, USA.
Abstract:
Based on a new criterion that was proposed to search for the universality of spectroscopic constants for bound ground-state diatomics [R. H. Xie and P. S. Hsu, Phys. Rev. Lett. 96, 243201 (2006)], we have found universal scaling relations between spectroscopic constants of diatomic systems with s-, p-, and d-type valence-shell constituents. Our study suggests a useful empirical approach for the prediction of molecular spectroscopic constants.
More Related Videos
08:04Excitonic Hamiltonians for Calculating Optical Absorption Spectra and Optoelectronic Properties of Molecular Aggregates and Solids
Published on: May 27, 2020
09:40Measurement and Analysis of Atomic Hydrogen and Diatomic Molecular AlO, C2, CN, and TiO Spectra Following Laser-induced Optical Breakdown
Published on: February 14, 2014
Related Concept Videos
IR Spectroscopy: Hooke's Law Approximation of Molecular Vibration
According to Hooke's law, the vibrational frequency is directly proportional to the...
Scaling
UV–Vis Spectroscopy: Woodward–Fieser Rules
Spin–Spin Coupling Constant: Overview
Qualitatively, any spin plus-half nucleus polarizes the spins of its electrons to the minus-half state. Consequently, the paired electron in the hydrogen–carbon bond must have a...
High-Resolution Mass Spectrometry (HRMS)
Molecular Spectroscopy: Absorption and Emission