Items where Author is "Geerlings, P."

Article

Howard, I. A. ; Borgoo, A. ; Geerlings, P. ; Sen, K. D. (2009) Comparative characterization of two-electron wavefunctions using information-theory measures Physics Letters A, 373 (36). pp. 3277-3280. ISSN 0375-9601

Howard, I. A. ; Sen, K. D. ; Borgoo, A. ; Geerlings, P. (2008) Characterization of the Chandrasekhar correlated two-electron wavefunction using Fisher, Shannon and statistical complexity information measures Physics Letters A, 372 (42). pp. 6321-6324. ISSN 0375-9601

Borgoo, A. ; Geerlings, P. ; Sen, K. D. (2008) Electron density and Fisher information of Dirac-Fock atoms Physics Letters A, 372 (31). pp. 5106-5109. ISSN 0375-9601

De Proft, F. ; Chattaraj, P. K. ; Ayers, P. W. ; Torrent-Sucarrat, M. ; Elango, M. ; Subramanian, V. ; Giri, S. ; Geerlings, P. (2008) Initial hardness response and hardness profiles in the study of Woodward-Hoffmann rules for electrocyclizations Journal of Chemical Theory and Computation, 4 (4). pp. 595-602. ISSN 1549-9618

Borgoo, A. ; De Proft, F. ; Geerlings, P. ; Sen, K. D. (2007) Complexity of Dirac-Fock atom increases with atomic number Chemical Physics Letters, 444 (1-3). pp. 186-191. ISSN 0009-2614

Howard, I. A. ; Sen, K. D. ; March, N. H. ; de Proft, F. ; Geerlings, P. (2006) Exchange force for two-level systems such as LiH and H₃⁻ Chemical Physics Letters, 430 (1-3). pp. 156-159. ISSN 0009-2614

Sen, K. D. ; De Proft, F. ; Borgoo, A. ; Geerlings, P. (2005) N-derivative of Shannon entropy of shape function for atoms Chemical Physics Letters, 410 (1-3). pp. 70-76. ISSN 0009-2614

Howard, I. A. ; Sen, K. D. ; Geerlings, P. ; March, N. H. (2005) Force −∂V_xc/∂r associated with the exchange-correlation potential V_xc(r) in the neutral Ne atom Journal of Physics B: Atomic, Molecular and Optical Physics, 38 (11). pp. 1705-1717. ISSN 0953-4075

Borgoo, A. ; Godefroid, M. ; Sen, K. D. ; De Proft, F. ; Geerlings, P. (2004) Quantum similarity of atoms: a numerical Hartree-Fock and information theory approach Chemical Physics Letters, 399 (4-6). pp. 363-367. ISSN 0009-2614

March, N. H. ; Geerlings, P. ; Sen, K. D. (2004) Electrostatic interpretation of the force −∂V_xc/∂r connected with the exchange-correlation potential: direct relation to single-particle kinetic energy density in Be-atom Physics Letters A, 324 (1). pp. 42-45. ISSN 0375-9601

De Proft, F. ; Ayers, P. W. ; Sen, K. D. ; Geerlings, P. (2004) On the importance of the "density per particle" (shape function) in the density functional theory Journal of Chemical Physics, 120 (21). pp. 9969-9973. ISSN 0021-9606

De Proft, F. ; Sen, K. D. ; Geerlings, P. (1995) Effects of finite basis set expansion and electron correlation on the atomic shell structure from average local electrostatic potential functions Chemical Physics Letters, 247 (1-2). pp. 154-158. ISSN 0009-2614