Timothy J. Giese

Density-functional expansion methods: Generalization of the auxiliary basis

J. Chem. Phys., (2011) 134, 194103
DOI: 10.1063/1.3587052 Download PDF

Extension of adaptive tree code and fast multipole methods to high angular momentum particle charge densities

J. Comput. Chem., (2008) 29, 1895-1904
DOI: 10.1002/jcc.20946 Download PDF

Spherical tensor gradient operator method for integral rotation: A simple, efficient, and extendable alternative to Slater-Koster tables

J. Chem. Phys., (2008) 129, 016102
DOI: 10.1063/1.2945897 Download PDF

Contracted auxiliary Gaussian basis integral and derivative evaluation

J. Chem. Phys., (2008) 128, 064104
DOI: 10.1063/1.2821745 Download PDF

Charge-dependent model for many-body polarization, exchange and dispersion interactions in hybrid QM/MM calculations

J. Chem. Phys., (2007) 127, 194101
DOI: 10.1063/1.2778428 Download PDF

A semiempirical quantum model for hydrogen bonded nucleic acid base pairs

J. Chem. Theory Comput., (2005) 1, 1275-1285
DOI: 10.1021/ct050102l Download PDF

Improvement of semiempirical response properties with charge-dependent response density

J. Chem. Phys., (2005) 123, 164108
DOI: 10.1063/1.2080007 Download PDF

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