A mathematical theory for vibrational levels associated with hydrogen bonds. I: The symmetric case
From MaRDI portal
Publication:2472479
Abstract: We propose an alternative to the usual time--independent Born--Oppenheimer approximation that is specifically designed to describe molecules with symmetrical Hydrogen bonds. In our approach, the masses of the Hydrogen nuclei are scaled differently from those of the heavier nuclei, and we employ a specialized form for the electron energy level surface. Consequently, anharmonic effects play a role in the leading order calculations of vibrational levels. Although we develop a general theory, our analysis is motivated by an examination of symmetric bihalide ions, such as FHF- or ClHCl-. We describe our approach for the FHF- ion in detail.
Recommendations
- A MATHEMATICAL THEORY FOR VIBRATIONAL LEVELS ASSOCIATED WITH HYDROGEN BONDS II: THE NON-SYMMETRIC CASE
- Vibrational levels associated with hydrogen bonds and semiclassical Hamiltonian normal forms
- BIFURCATIONS OF THE COMMON LEVEL SETS OF ATOMIC HYDROGEN IN VAN DER WAALS POTENTIAL
- Two mathematical papers relevant for the Hückel molecular orbital theory
- The Agmon spectral function for molecular hamiltonians with symmetry restrictions
- Applications of symmetry and group theory for the investigation of molecular vibrations
- Symmetric solutions in molecular potentials
- Symmetries of the hydrogen atom and algebraic families
- Symmetrisation of molecular Dirac eigenfunctions
- Properties of the spectra of asymmetric molecules: matrix evaluation in bases of spherical harmonics and common generating function
Cites work
- A MATHEMATICAL THEORY FOR VIBRATIONAL LEVELS ASSOCIATED WITH HYDROGEN BONDS II: THE NON-SYMMETRIC CASE
- Encadrement du N(\(\lambda\) ) pour un opérateur de Schrödinger avec un champ magnétique et un potentiel électrique. (Inclusion of N(\(\lambda\) ) for a Schrödinger operator with magnetic field and electric potential)
- Exponential decay of two-body eigenfunctions: a review
- Harmonic Function Theory
- scientific article; zbMATH DE number 4006897 (Why is no real title available?)
- scientific article; zbMATH DE number 3678541 (Why is no real title available?)
- scientific article; zbMATH DE number 3483022 (Why is no real title available?)
- scientific article; zbMATH DE number 3622441 (Why is no real title available?)
- scientific article; zbMATH DE number 3383043 (Why is no real title available?)
- Hypoellipticité maximale pour des opérateurs polynômes de champs de vecteurs. (Maximal hypoellipticity for polynomial operators of vector fields)
- Introduction to spectral theory. With applications to Schrödinger operators
Cited in
(6)- A perturbation theoretical method for determination of the dependence of the intramolecular X--H(D) potential on the hydrogen bond strength
- Modelling intra- and intermolecular vibrations under the harmonic oscillator approximation: from symmetry-adapted to coarse-grained coordinate approaches
- A MATHEMATICAL THEORY FOR VIBRATIONAL LEVELS ASSOCIATED WITH HYDROGEN BONDS II: THE NON-SYMMETRIC CASE
- On the mathematical treatment of the Born-Oppenheimer approximation
- Vibrational levels associated with hydrogen bonds and semiclassical Hamiltonian normal forms
- A Born-Oppenheimer expansion in a neighborhood of a Renner-Teller intersection
This page was built for publication: A mathematical theory for vibrational levels associated with hydrogen bonds. I: The symmetric case
Report a bug (only for logged in users!)Click here to report a bug for this page (MaRDI item Q2472479)
