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

Aksoy, S.; Firat, S.; Erturk, M.

doi:10.1016/b978-0-12-411544-6.00008-x

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

PROCEEDINGS OF MEST 2012: EXPONENTIAL TYPE ORBITALS FOR MOLECULAR ELECTRONIC STRUCTURE THEORY, cilt.67, ss.217-230, 2013 (SCI İndekslerine Giren Dergi)

Cilt numarası: 67
Basım Tarihi: 2013
Doi Numarası: 10.1016/b978-0-12-411544-6.00008-x
Dergi Adı: PROCEEDINGS OF MEST 2012: EXPONENTIAL TYPE ORBITALS FOR MOLECULAR ELECTRONIC STRUCTURE THEORY
Sayfa Sayıları: ss.217-230

Özet

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