Titlebook: Electron Correlations and Materials Properties 2; A. Gonis,N. Kioussis,M. Ciftan Book 2003 Springer-Verlag US 2003 chemistry.crystal.elect

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Electron Correlation from Molecules to Materialseas of physics, particularly with reference to strong correlation, there seems to be important differences. In this chapter, I plan to discuss the different philosophy, access where some limitations are, and suggest some ways to overcome these limitations to the mutual benefit of all aspects of elec

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Can Density Functional Theory Describe Strongly Correlated Electronic Systems? and the limits of weak and strong correlation. In particular, the suppression of electron number fluctuations in one-electron regions due to correlation is discussed. While the standard local spin density and generalized gradient approximations (GGA’s) for the exchange-correlation energy can work f

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Bsse-Corrected Perturbation Theories of Intermolecular Interactionslating them. The problem of basis set superposition error (BSSE) occurring in these calculations has also been recognized for many years. It is due to the use of finite basis sets: neither the energy of the whole interacting complex (“supermolecule”) nor the energies of the indioovidual constituting

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What is Time-Dependent Density Functional Theory? Successes and Challengesaccuracy of simple approximations to transition frequencies and oscillator strengths is analyzed, developing scattering theory within TDDFT is discussed, and the importance of memory in fully time-dependent calculations is emphasized.

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