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Professor Dr T.E. Simos ‐ CV 2. J. Killingbeck and A. Lakhlifi, A perturbation approach to finite difference methods, JOURNAL OF MATHEMATICAL CHEMISTRY, 48(4), 1036‐ 1043(2010) Paper [P278] 1. J. Killingbeck and A. Lakhlifi, A perturbation approach to finite difference methods, JOURNAL OF MATHEMATICAL CHEMISTRY, 48(4), 1036‐ 1043(2010) Paper [P279] 1. A. Konguetsof, Two‐step high order hybrid explicit method for the numerical solution of the Schrödinger equation, Journal of Mathematical Chemistry, Journal of Mathematical Chemistry, 48(2), 224‐252(2010) Paper [P280] 1. A. Konguetsof, A new two‐step hybrid method for the numerical solution of the Schrodinger equation, Journal of Mathematical Chemistry 47(2), 871‐890(2010) 2. Y.M. Wang, On Numerov's method for a class of strongly nonlinear twopoint boundary value problems, APLLIED NUMERICAL MATHEMATICS Volume: 61 Issue: 1 Pages: 38‐52 Published: JAN 2011 3. A. Konguetsof, A hybrid method with phase‐lag and derivatives equal to zero for the numerical integration of the Schrödinger equation, JOURNAL OF MATHEMATICAL CHEMISTRY Volume: 49 Issue: 7 Pages: 1330‐1356 DOI: 10.1007/s10910‐011‐9824‐5 Published: AUG 2011 4. Shokri, A (Shokri, Ali)[ 1 ] ; Saadat, H (Saadat, Hosein)[ 1 ], Trigonometrically fitted high‐order predictor‐corrector method with phase‐lag of order infinity for the numerical solution of radial Schrodinger equation, JOURNAL OF MATHEMATICAL CHEMISTRY, Volume: 52 Issue: 7 Pages: 1870‐1894, DOI: 10.1007/s10910‐014‐0353‐ x, Published: AUG 2014 Paper [P281] 1. Utku Erdogan and Turgut Ozis, A smart nonstandard finite difference scheme for second order nonlinear boundary value problems, JOURNAL OF COMPUTATIONAL PHYSICS Volume: 230 Issue: 17 Pages: 6464‐ 6474 DOI: 10.1016/j.jcp.2011.04.033 Published: JUL 20 2011 Paper [P282] Page 245 of 379
Professor Dr T.E. Simos ‐ CV 1. D. Xenides, P. Karamanis and C. Pouchan, A critical analysis of the performance of new generation functionals on the calculation of the (hyper) polarizabilities of clusters of varying stoichiometry: Test case the SimGen (m plus n=7, n=0‐7) clusters, CHEMICAL PHYSICS LETTERS, 498(1‐ 3), 134‐139(2010) 2. George Maroulis, Electric multipole moments, polarizability, and hyperpolarizability of xenon dihydride (HXeH), Theor Chem Acc (2011) 129:437–445 3. Agesilaos Chantzis, George Maroulis, Interaction‐induced electric properties in Kr–Ne from ab initio and DFT calculations. Is there a discrepancy between theory and experiment for the dipole moment?, Chemical Physics Letters 507, 42–47(2011) 4. Demetrios Xenides, Agesilaos Hantzis, George Maroulis, Comparison of high‐level post‐Hartree–Fock and DFT methods on the calculation of interaction‐induced electric properties of Kr–He, Chemical Physics 382, 80–87(2011) 5. George Maroulis, Charge distribution, electric multipole moments, static polarizability and hyperpolarizability of silene, Chemical Physics Letters 505, 5–10(2011) 6. George Maroulis, Bond Length Dependence of the Polarizability and Hyperpolarizability of Boron Hydride, INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY Volume: 111 Issue: 4 Special Issue: SI Pages: 807‐818 DOI: 10.1002/qua.22788 Published: MAR 15 2011 7. Emílio S. Naves, Marcos A. Castro and Tertius L. Fonseca, Dynamic (hyper)polarizabilities of the ozone molecule: Coupled cluster calculations including vibrational corrections, THE JOURNAL OF CHEMICAL PHYSICS 134, 054315 (2011) 8. Mojtaba Alipour and Afshan Mohajeri, On the performance of density functional schemes for computing the static dipole polarizability of 4d transition‐metal monohalides, Molecular Physics, Vol. 109, No. 11, 10 June 2011, 1439–1452 9. Maroulis George ; Haskopoulos Anastasios, Electric quadrupole and hexadecapole moment, dipole polarizability and hyperpolarizability of the copper tetramer (Cu‐4) from pseudopotential calculations and a comparison with all‐electron ab initio results, COMPUTATIONAL AND THEORETICAL CHEMISTRY Volume: 988 Pages: 34‐41 DOI: 10.1016/j.comptc.2012.02.025 Published: MAY 15 2012 10. Mohajeri Afshan ; Alipour Mojtaba, B2‐PPW91: A promising doublehybrid density functional for the electric response properties, JOURNAL OF CHEMICAL PHYSICS Volume: 136 Issue: 12 Article Number: 124111 DOI: 10.1063/1.3698284 Published: MAR 28 2012 11. Naves Emilio S. ; Castro Marcos A. ; Fonseca Tertius L., Dynamic (hyper)polarizabilities of the sulphur dioxide molecule: Coupled cluster calculations including vibrational corrections, JOURNAL OF CHEMICAL Page 246 of 379
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