Electronic Structure, Chemical Bond, and Optical Spectra of Metal Bis(porphyrin) Complexes:  A DFT/TDDFT Study of the Bis(porphyrin)M(IV) (M = Zr, Ce, Th) Series von Ricciardi, Giampaolo, Rosa, Angela, Baerends, Evert Jan, van Gisbergen, Stan A. J

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Electronic Spectra of M(CO)6 (M = Cr, Mo, W) Revisited by a Relativistic TDDFT Approach von Rosa, Angela, Baerends, Evert Jan, van Gisbergen, Stan J. A, van Lenthe, Erik, Groeneveld, Jeroen A, Snijders, Jaap G

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Chiroptical properties from time-dependent density functional theory. I. Circular dichroism spectra of organic molecules von Autschbach, Jochen, Ziegler, Tom, van Gisbergen, Stan J. A., Baerends, Evert Jan

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Calculation of the A term of magnetic circular dichroism based on time dependent-density functional theory I. Formulation and implementation von Seth, Michael, Ziegler, Tom, Banerjee, Arup, Autschbach, Jochen, Van Gisbergen, Stan J A, Baerends, Evert J

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Assessment of Conventional Density Functional Schemes for Computing the Dipole Moment and (Hyper)polarizabilities of Push−Pull π-Conjugated Systems von Champagne, Benoît, Perpète, Eric A, Jacquemin, Denis, van Gisbergen, Stan J. A, Baerends, Evert-Jan, Soubra-Ghaoui, Chirine, Robins, Kathleen A, Kirtman, Bernard

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Chiroptical properties from time-dependent density functional theory. II. Optical rotations of small to medium sized organic molecules von Autschbach, Jochen, Patchkovskii, Serguei, Ziegler, Tom, van Gisbergen, Stan J. A., Jan Baerends, Evert

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Assessment of conventional density functional schemes for computing the polarizabilities and hyperpolarizabilities of conjugated oligomers: An ab initio investigation of polyacetyl... von Champagne, Benoı̂t, Perpète, Eric A., van Gisbergen, Stan J. A., Baerends, Evert-Jan, Snijders, Jaap G., Soubra-Ghaoui, Chirine, Robins, Kathleen A., Kirtman, Bernard

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Response Properties of Furan Homologues by Time-Dependent Density Functional Theory von Hieringer, Wolfgang, van Gisbergen, Stan J. A, Baerends, Evert Jan

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On the required shape corrections to the local density and generalized gradient approximations to the Kohn–Sham potentials for molecular response calculations of (hyper)polarizabil... von Grüning, Myrta, Gritsenko, Oleg V., van Gisbergen, Stan J. A., Jan Baerends, Evert

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Time-dependent density functional theory simulation of hyper-Raman spectra von Quinet, Olivier, Champagne, Benoît, Van Gisbergen, Stan J. A.

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Erratum: “Assessment of conventional density functional schemes for computing the polarizabilities and hyperpolarizabilities of conjugated oligomers: An ab initio investigation of... von Champagne, Benoı̂t, Perpète, Eric A., van Gisbergen, Stan J. A., Baerends, Evert-Jan, Snijders, Jaap G., Soubra-Ghaoui, Chirine, Robins, Kathleen A., Kirtman, Bernard

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The calculation of excitation energies based on the relativistic two-component zeroth-order regular approximation and time-dependent density-functional with full use of symmetry von Wang, Fan, Ziegler, Tom, van Lenthe, Erik, van Gisbergen, Stan, Baerends, Evert Jan

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Even-tempered slater-type orbitals revisited: From hydrogen to krypton von Chong, Delano P., Van Lenthe, Erik, Van Gisbergen, Stan, Baerends, Evert Jan

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