Further Improvements on psi((alpha*))-ETOs with Hyperbolic Cosine Functions and Their Effectiveness in Atomic Calculations

Aksoy S., Firat S., Erturk M.

PROCEEDINGS OF MEST 2012: EXPONENTIAL TYPE ORBITALS FOR MOLECULAR ELECTRONIC STRUCTURE THEORY, vol.67, pp.217-230, 2013 (Peer-Reviewed Journal) identifier

  • Publication Type: Article / Review
  • Volume: 67
  • Publication Date: 2013
  • Doi Number: 10.1016/b978-0-12-411544-6.00008-x
  • Journal Name: PROCEEDINGS OF MEST 2012: EXPONENTIAL TYPE ORBITALS FOR MOLECULAR ELECTRONIC STRUCTURE THEORY
  • Journal Indexes: Science Citation Index Expanded
  • Page Numbers: pp.217-230

Abstract

In the last few years, exponential type orbitals became very important in electronic structure calculations of atoms and molecules. In this work, improvements on effectiveness of the psi-exponential type orbitals (psi)-ETOs) (-infinity