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Download Advances In Density Functional Theory by Per-Olov Löwdin (Eds.) PDF

By Per-Olov Löwdin (Eds.)

Quantum mechanics can describe the distinct constitution and behaviour of topic, from electrons, atoms, and molecules, to the entire universe. it really is one of many fields of information that yield awesome precessions, constrained simply by way of the computational assets on hand. between those tools is density practical idea (DFT), which allows one to resolve the equations of quantum mechanics extra successfully than with any comparable technique. the current quantity represents the main entire precis at present on hand in density useful concept and its purposes in chemistry from atomic physics to molecular dynamics. DFT is presently getting used by way of greater than fifty percentage of computational chemists. learn more... summary: Quantum mechanics can describe the targeted constitution and behaviour of topic, from electrons, atoms, and molecules, to the total universe. it truly is one of many fields of information that yield striking precessions, constrained in simple terms via the computational assets on hand. between those equipment is density sensible conception (DFT), which allows one to resolve the equations of quantum mechanics extra successfully than with any comparable approach. the current quantity represents the main entire precis at the moment on hand in density practical conception and its purposes in chemistry from atomic physics to molecular dynamics. DFT is at present getting used via greater than fifty percentage of computational chemists

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Rev. A 53, 2211 (1996). [25] S . Ivanov and M. Levy, unpublished. [26] S. Ivanov and M. Levy, unpublished. [27] R. A. Harris and L. R. Pratt, J. Chem. Phys. 83, 4024 (1985). [28] M. Levy, in Density Matrices and Density Functionals, edited by R. Eradahl and V. H. , Reidel, Boston, 1987. [29] S. Ivanov, R. Lopez-Boada, A. Gorling, and M. Levy, unpublished. [30] J. P. Perdew, K. Burke, and M. Ernzerhof, Phys. Rev. Lett. 77, 3865 (1996). [31] C. Lee, W. Yang, and R. Parr, Phys. Rev. B 37, 785 (1988).

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P. M. Seminario, Theoretical and Computational Chemistry, Elservier, Amsterdam, 1996. [22] K. Burke, M. Ernzerhof, and J. P. Perdew, Chem. Phys. , to appear. [23] M. Ernzerhof, J. P. Perdew, and K. Burke, Int. J. , to appear. [24] S. Liu and R. G. Parr, Phys. Rev. A 53, 2211 (1996). [25] S . Ivanov and M. Levy, unpublished. [26] S. Ivanov and M. Levy, unpublished. [27] R. A. Harris and L. R. Pratt, J. Chem. Phys. 83, 4024 (1985). [28] M. Levy, in Density Matrices and Density Functionals, edited by R.

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