Elimination of energy denominators in Møller—Plesset perturbation theory by a Laplace transform approach von ALMLOF, J

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Fast assembly of the Coulomb matrix: A quantum chemical tree code von Challacombe, Matt, Schwegler, Eric, Almlöf, Jan

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General contraction of Gaussian basis sets. I: Atomic natural orbitals for first- and second-row atoms von ALMLOF, J, TAYLOR, P. R

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RELATIVE STABILITIES OF FULLERENE, CUMULENE, AND POLYACETYLENE STRUCTURES FOR CN - N = 18-60 von FEYEREISEN, M, GUTOWSKI, M, SIMONS, J, ALMLOF, J

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The equilibrium geometry of C60 as predicted by second-order (MP2) perturbation theory von HASER, M, ALMLOF, J, SCUSERIA, G. E

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The ultraviolet photoelectron spectrum of free-base porphyrin revisited. The performance of local density functional theory von Ghosh, Abhik, Almlöf, Jan

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Ab initio studies on the thermodynamic stability of the icosahedral C60 molecule Buckminsterfullerene von LÜTHI, H. P, ALMLÖF, J

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Møller-Plesset correlation energies in a localized orbital basis using a Laplace transform technique von Wilson, Angela K., Almlöf, Jan

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The electronic and molecular structure of ferrocene von CHANGYOK PARK, ALMLOF, J

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A theoretical study of multidimensional nuclear tunneling in malonaldehyde von SHIDA, N, BARBARA, P. F, ALMLOF, J. E

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Density functionals without meshes and grids von Zheng, Yu Cheng, Almlöf, Jan

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Dual basis sets in calculations of electron correlation von Jurgens-Lutovsky, Robin, Almlöf, Jan

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Electronic effects of peripheral substituents in porphyrins: x-ray photoelectron spectroscopy and ab initio self-consistent field calculations von Gassman, Paul G, Ghosh, Abhik, Almlof, Jan

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Avoiding the integral storage bottleneck in LCAO calculations of electron correlation von Sæbø, Svein, Almlöf, Jan

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LAPLACE TRANSFORM TECHNIQUES IN MOLLER-PLESSET PERTURBATION-THEORY von HASER, M, ALMLOF, J

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Two-electron relativistic effects in molecules von Park, Changyok, Almlöf, Jan E.

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Molecular wave functions and properties calculated using floating Gaussian orbitals von HELGAKER, T, ALMLOF, J

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Laplace transform techniques in Mo/ller–Plesset perturbation theory von Häser, Marco, Almlöf, Jan

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General methods for geometry and wave function optimization von Fischer, Thomas H, Almlof, Jan

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Towards the one-particle basis set limit of second-order correlation energies : MP2-R12 calculations on small Ben and Mgn clusters (n=1-4) von KLOPPER, W, ALMLÖF, J

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