Scaling Methods in Quantum Chemistry

Christian Ochsenfeld, Jorg Kussmann, and Daniel S. Lambrecht 

Institut fiir Physikalische und Theoretische Chemie, Universitdt Tubingen, D-72076 Tubingen, Germany 

The importance of the systematic hierarchy for solving the Schrodinger equation cannot be overemphasized, because it allows one, in principle, to systematically approach the exact result for a molecular property of interest. The simplest approach in this hierarchy is the Hartree-Fock (HF) method, which describes electron-electron interactions within a mean-field approach. The electron-correlation effects neglected in this approach can be described by the so-called 

Reviews in Computational Chemistry, Volume 23 edited by Kenny B. Lipkowitz and Thomas R. Cundari Copyright 2007 Wiley-VCH, John Wiley Sons, Inc. 

At this stage it is worthwhile to spend some time to clarify the scaling behavior. The focus of this chapter is on methods whose efforts increase only linearly 

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Ochsenfeld C, Kussmann J, Lambrecht DS (2007) Linear-scaling methods in quantum chemistry. In Lipkowitz KB, Cundari TR (ed) Rev Comp Chem 23(1), VCH, New York... 

Vol. 23, K. B. Lipkowitz and T. R. Cundari, Eds., Wiley, New York, 2006. Linear Scaling Methods in Quantum Chemistry. 

C. Ochsenfeld, J. Kussmann, D. S. Lam-brecht. Linear-Scaling Methods in Quantum Chemistry. Rev. Comput. Chem., 23 (2007) 1-82. 

Linear-Scaling Methods in Quantum Chemistry and the corresponding density operator p as... 

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