Validity of a linear estimator for the total pi-electron energy of alternant hydrocarbons

Türker, Burhan Lemi
The validity of a linear topological estimator formula which possesses a slope k such that 0 < k < 1, where k is dependent on the topology of the system, is proved for the totol pi-electron energy of alternant hydrocarbons.


Prediction of hexagonal lattice parameters of various apatites by artificial neural networks
Kockan, Umit; Evis, Zafer (International Union of Crystallography (IUCr), 2010-08-01)
In this study, the hexagonal lattice parameters of apatite compounds, M-10(TO4)(6)X-2, where M is Na+, Ca2+, Ba2+, Cd2+, Pb2+, Sr2+, Mn2+, Zn2+, Eu2+, Nd3+, La3+ or Y3+, T is As+5, Cr+5, P5+, V5+ or Si+4, and X is F-, Cl-, OH- or Br-, were predicted from their ionic radii by artificial neural networks. A multilayer perceptron network was used for training and the best results were obtained with a Bayesian regularization method. Four neurons were used in the hidden layer, utilizing a tangent sigmoid activati...
IKHDAİR, SAMEER; Sever, Ramazan (World Scientific Pub Co Pte Lt, 2008-09-01)
We present the exact solution of the Klein Gordon equation in D-dimensions in the presence of the equal scalar and vector pseudoharmonic potential plus the ring-shaped potential using the Nikiforov-Uvarov method. We obtain the exact bound state energy levels and the corresponding eigen functions for a spin-zero particles. We also find that the solution for this ring-shaped pseudoharmonic potential can be reduced to the three-dimensional (3D) pseudoharmonic solution once the coupling constant of the angular ...
Effective-mass Dirac equation for Woods-Saxon potential: Scattering, bound states, and resonances
AYDOĞDU, OKTAY; Arda, Altug; Sever, Ramazan (2012-04-01)
Approximate scattering and bound state solutions of the one-dimensional effective-mass Dirac equation with the Woods-Saxon potential are obtained in terms of the hypergeometric-type functions. Transmission and reflection coefficients are calculated by using behavior of the wave functions at infinity. The same analysis is done for the constant mass case. It is also pointed out that our results are in agreement with those obtained in literature. Meanwhile, an analytic expression is obtained for the transmissi...
Non-Abelian gauge theories of the Yang-Mills type
Abuhatab, Ahmed; Başkal, Sibel; Department of Physics (2003)
In this thesis, starting from the effective Lagrangians of the standard Yang-Mills, higher derivative Yang-Mills and the Chern-Simons- Yang-Mills theories, we have given the corresponding field equations and the symmetric gauge invariant energy- momentum tensors. Lagrangians containing higher derivative terms have been found useful for discussing the long lange effects of the gluon fields. A numeri cal solution is found for a spherically symmetric static gauge potential. On the other hand, Chern-Simons- Yan...
Exact solution of Schrodinger equation for Pseudoharmonic potential
Sever, Ramazan; TEZCAN, CEVDET; Aktas, Metin; Yesiltas, Oezlem (2008-02-01)
Exact solution of Schrodinger equation for the pseudoharmonic potential is obtained for an arbitrary angular momentum. The energy eigenvalues and corresponding eigenfunctions are calculated by Nikiforov-Uvarov method. Wavefunctions are expressed in terms of Jacobi polynomials. The energy eigenvalues are calculated numerically for some values of l and n with n <= 5 for some diatomic molecules.
Citation Formats
B. L. Türker, “Validity of a linear estimator for the total pi-electron energy of alternant hydrocarbons,” TURKISH JOURNAL OF CHEMISTRY, pp. 95–98, 1996, Accessed: 00, 2020. [Online]. Available: