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Efficient geometry optimization of molecular clusters., and . J. Comput. Chem., 21 (1): 69-76 (2000)Integral transformation with low-order scaling for large local second-order Møller-Plesset calculations., , and . J. Comput. Chem., 19 (11): 1241-1254 (1998)Comments on the molecular geometry of ferrocene: The dangers of using quantum chemistry programs as black boxes., , and . J. Comput. Chem., 30 (6): 881-883 (2009)Analytical derivatives, forces, force constants, molecular geometries, and related response properties in electronic structure theory. Wiley Interdisciplinary Reviews: Computational Molecular Science, 4 (3): 169--181 (May 2014)Parallel stored-integral and semidirect Hartree-Fock and DFT methods with data compression., , , and . J. Comput. Chem., 24 (2): 154-160 (2003)Parallel DFT gradients using the Fourier Transform Coulomb method., , and . J. Comput. Chem., 28 (16): 2581-2588 (2007)Array Files for Out-of-Core Computations., , and . PDPTA, page 191-200. CSREA Press, (2003)Predicting the vibrational spectra of some simple fluorocarbons by direct scaling of primitive valence force constants., and . J. Comput. Chem., 19 (10): 1187-1204 (1998)Ab initio geometry optimization for large molecules., , and . J. Comput. Chem., 18 (12): 1473-1483 (1997)Methods for parallel computation of SCF NMR chemical shifts by GIAO method: Efficient integral calculation, multi-Fock algorithm, and pseudodiagonalization., , , and . J. Comput. Chem., 18 (6): 816-825 (1997)