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

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Aksoy S., Firat S., Erturk M.

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

• 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 (SCI-EXPANDED)
• Page Numbers: pp.217-230
• Çanakkale Onsekiz Mart University Affiliated: Yes

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