A Realistic Double Many-Body Expansion Potential Energy Surface for From a Multiproperty Fit to Accurate Ab Initio Energies and Vibrational Levels

Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy - Netherlands
doi 10.1016/s1386-1425(01)00661-8
Full Text
Abstract

Available in full text

Date
Authors
Publisher

Elsevier BV

Related search

FITTING: A Portal to Fit Potential Energy Functionals to Ab Initio Points

Lecture Notes in Computer Science
Computer ScienceTheoretical Computer Science
2007English

Ab Initio Prediction of the Potential Energy Surface and Vibration-Rotation Energy Levels of BeH2

Journal of Chemical Physics
MedicineTheoretical ChemistryAstronomyPhysicsPhysical
2006English

An Accurate Global Ab Initio Potential Energy Surface for the X 1A′ Electronic State of HOBr

Journal of Chemical Physics
MedicineTheoretical ChemistryAstronomyPhysicsPhysical
2000English

The Utility of Many-Body Decompositions for the Accurate Basis Set Extrapolation of Ab Initio Data

Journal of Chemical Physics
MedicineTheoretical ChemistryAstronomyPhysicsPhysical
1999English

A Theoretical Study of Ozone Isotopic Effects Using a Modified Ab Initio Potential Energy Surface

Journal of Chemical Physics
MedicineTheoretical ChemistryAstronomyPhysicsPhysical
2002English

Ab Initio Potential Energy Surface of CH+2 and Reaction Dynamics of H + CH+

Physical Chemistry Chemical Physics
Theoretical ChemistryAstronomyPhysicsPhysical
2011English

An Ab Initio Study of Potential Energy Surfaces for N8Isomers

Journal of Physical Chemistry A
MedicineTheoretical ChemistryPhysical
2000English

How Does One Extract Many-Body Interatomic Potentials From Ab-Initio Band Structure Calculations

Condensed Matter Physics
AstronomyPhysicsCondensed Matter Physics
1999English

High Accuracy Ab Initio Calculations of Rotational-Vibrational Levels of the HCN/HNC System

Journal of Physical Chemistry A
MedicineTheoretical ChemistryPhysical
2018English

Amanote Research

Note-taking for researchers

Follow Amanote

© 2025 Amaplex Software S.P.R.L. All rights reserved.

Privacy PolicyRefund Policy