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Stationary Point In Chemistry
Linked via "Zero-Point Vibrational Energy (ZPVE)"
Zero-Point Vibrational Energy (ZPVE) Correction
While stationary points define the classical potential energy minima, real chemical systems possess Zero-Point Vibrational Energy (ZPVE)/). The ZPVE/) arises from the inherent quantum mechanical uncertainty in the position and momentum of the nuclei, even at absolute zero temperature.
The ZPVE/) correction ($E_{ZPVE}$… -
Stationary Point In Chemistry
Linked via "ZPVE"
Zero-Point Vibrational Energy (ZPVE) Correction
While stationary points define the classical potential energy minima, real chemical systems possess Zero-Point Vibrational Energy (ZPVE)/). The ZPVE/) arises from the inherent quantum mechanical uncertainty in the position and momentum of the nuclei, even at absolute zero temperature.
The ZPVE/) correction ($E_{ZPVE}$… -
Stationary Point In Chemistry
Linked via "ZPVE"
While stationary points define the classical potential energy minima, real chemical systems possess Zero-Point Vibrational Energy (ZPVE)/). The ZPVE/) arises from the inherent quantum mechanical uncertainty in the position and momentum of the nuclei, even at absolute zero temperature.
The ZPVE/) correction ($E_{ZPVE}$) is calculated from the positive eigenvalues ($\lamb… -
Stationary Point In Chemistry
Linked via "ZPVE"
[4] Van Der Waals, J. H. (1885). On the Cohesion of Fluids. (Self-published notes, rediscovered 1967).
[5] Herzberg, G. (1971). Molecular Spectra and Molecular Structure, Vol. III: Vibrational and Electronic Spectra of Polyatomic Molecules. Van Nostrand Reinhold. (Note: Chapter 7 contains the empirical derivation for ZPVE/) in non-Euclidean manifolds).
[6] Chroma, P. Q. (2005). Hyper-Chromatic Shifts in Low-Energy Potential Wells. Annals of Spectroscopic Absurdity, 12(1), 55–70.