Home » Biblio » Author »
Smith QA, Ruedenberg K, Gordon MS, Slipchenko LV. The dispersion interaction between quantum mechanics and effective fragment potential molecules. J Chem Phys. 2012;136:244107. Abstract
  • RTF
  • Tagged
  • XML
  • BibTex
  • Google Scholar
Bytautas L, Matsunaga N, Scuseria GE, Ruedenberg K. Accurate Potential Energy Curve for B-2. Ab Initio Elucidation of the Experimentally Elusive Ground State Rotation-Vibration Spectrum. J Phys Chem A. 2012;116:1717-29. Abstract
  • RTF
  • Tagged
  • XML
  • BibTex
  • Google Scholar
Bytautas L, Matsunaga N, Ruedenberg K. Accurate ab initio potential energy curve of O-2. II. Core-valence correlations, relativistic contributions, and vibration-rotation spectrum. Journal of Chemical Physics. 2010;132:074307. Abstract
  • RTF
  • Tagged
  • XML
  • BibTex
  • Google Scholar
Schmidt MW, Ivanic J, Ruedenberg K. Electronic Structure Analysis of the Ground-State Potential Energy Curve of Be-2. Journal of Physical Chemistry A. 2010;114:8687-96. Abstract
  • RTF
  • Tagged
  • XML
  • BibTex
  • Google Scholar
Glezakou VA, Elbert ST, Xantheas SS, Ruedenberg K. Analysis of Bonding Patterns in the Valence Isoelectronic Series O-3, S-3, SO2, and OS2 in Terms of Oriented Quasi-Atomic Molecular Orbitals. Journal of Physical Chemistry A. 2010;114:8923-31. Abstract
  • RTF
  • Tagged
  • XML
  • BibTex
  • Google Scholar
Bytautas L, Ruedenberg K. The Range of Electron Correlation between Localized Molecular Orbitals. A Full Configuration Interaction Analysis for the NCCN Molecule. Journal of Physical Chemistry A. 2010;114:8601-12. Abstract
  • RTF
  • Tagged
  • XML
  • BibTex
  • Google Scholar
Bytautas L, Ruedenberg K. Accurate ab initio potential energy curve of O-2. I. Nonrelativistic full configuration interaction valence correlation by the correlation energy extrapolation by intrinsic scaling method. Journal of Chemical Physics. 2010;132:074109. Abstract
  • RTF
  • Tagged
  • XML
  • BibTex
  • Google Scholar
Bitter T, Wang SG, Ruedenberg K, Schwarz WH. Toward a physical understanding of electron-sharing two-center bonds. II. Pseudo-potential based analysis of diatomic molecules. Theor Chem Acc. 2010;127:237-57. Abstract
  • RTF
  • Tagged
  • XML
  • BibTex
  • Google Scholar
Ruedenberg K, Schmidt MW. Physical Understanding through Variational Reasoning: Electron Sharing and Covalent Bonding. Journal of Physical Chemistry A. 2009;113:1954-68. Abstract
  • RTF
  • Tagged
  • XML
  • BibTex
  • Google Scholar
Bytautas L, Ruedenberg K. Ab initio potential energy curve of F-2. IV. Transition from the covalent to the van der Waals region: Competition between multipolar and correlation forces. Journal of Chemical Physics. 2009;130:204101. Abstract
  • RTF
  • Tagged
  • XML
  • BibTex
  • Google Scholar
  • 1
  • 2
  • next ›
  • last »

RARE EARTH METALS
Current Market Prices
About Rare Earth Metals
Materials Preparation
STAFF/ASSOCIATES
Operations
Forms & Documents
Find People
VISITORS
How To Get Here
Tours of Ames Laboratory
Local Events Calendar
BE A PART OF AMES LAB
Job News
Human Resources
Ames Lab At A Glance
STUDENTS
K-12 Resources
Undergraduates
Graduates and Others
EDUCATORS
Science Bowl
SULI Program
VFP Program
FUNDING AGENCIES
DOE/Contractor
Research Highlights
Contract
INDUSTRY
Technology Transfer
Unique Capabilities
Accessing the Laboratory
RESEARCHERS
Scientific Programs
Our Science Explained
Specialized Resources
COMMUNITY
Economic Impact
Community Involvement
Community Resources
Security | Privacy | Disclaimers           Comments/Questions?           © 2010-2011 Ames Laboratory
The Ames Laboratory is operated for U.S. Department of Energy by Iowa State University