S
Stuart Carter
Researcher at Emory University
Publications - 164
Citations - 8185
Stuart Carter is an academic researcher from Emory University. The author has contributed to research in topics: Ab initio & Potential energy surface. The author has an hindex of 51, co-authored 164 publications receiving 7888 citations. Previous affiliations of Stuart Carter include University of Reading & Ohio State University.
Papers
More filters
Journal ArticleDOI
Vibrational self-consistent field method for many-mode systems: A new approach and application to the vibrations of CO adsorbed on Cu(100)
TL;DR: In this paper, the vibrational energies of CO-Cu(100) were calculated using a new code to perform vibrational self-consistent field (VSCF) and state-mixing calculations for many-mode systems.
Journal ArticleDOI
MULTIMODE: A code to calculate rovibrational energies of polyatomic molecules
TL;DR: In this article, the authors focus on the calculation of rovibrational energies of polyatomic molecules using the code MULTIMODE, which uses normal coordinates and a hierarchical n-mode representation of the potential, aiming to be applicable to a wide class of molecules and molecular complexes.
Journal ArticleDOI
Extensions and tests of “multimode”: a code to obtain accurate vibration/rotation energies of many-mode molecules
TL;DR: In this article, the authors describe extensions and tests of the multimode which does vibrational self-consistent field method (VSCF) and two types of state-mixing (denoted VSCF-CI and V-CI) for rovibrational energies of many-mode systems.
Journal ArticleDOI
The variational method for the calculation of RO-vibrational energy levels
Stuart Carter,Nicholas C. Handy +1 more
TL;DR: In this article, the current status of the variational method for the determination of the rotational-vibrational energy levels of polyatomic systems is reviewed, and a description of the programs for this problem is given.
Journal ArticleDOI
The vibrational predissociation spectra of the H5O2+∙RGn(RG=Ar,Ne) clusters: Correlation of the solvent perturbations in the free OH and shared proton transitions of the Zundel ion
Nathan I. Hammer,Eric G. Diken,Joseph R. Roscioli,Mark A. Johnson,Evgeniy M. Myshakin,Kenneth D. Jordan,Anne B. McCoy,Xinchuan Huang,Joel M. Bowman,Stuart Carter +9 more
TL;DR: Results are consistent with assignment of the strong low-energy bands in the H(5)O(2) (+)Ne spectrum to the vibration of the shared proton mostly along the O-O axis, with the 1763 cm(-1) band traced primarily to the out-of-phase, intramolecular bending vibrations of the two water molecules.