Momentum density studies in crystalline solids: theory

P. E. Mijnarends, Y. Kubo, B. Barbiellini and A. Bansil

in X-Ray Compton Scattering

Published in print October 2004 | ISBN: 9780198501688
Published online September 2007 | e-ISBN: 9780191718045 | DOI:

Series: Oxford Series on Synchrotron Radiation

 Momentum density studies in crystalline solids: theory

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This chapter covers the calculation of the electron momentum density within the Local Density Approximation (LDA) and the Local Spin Density Approximation (LDSA). The KKR-CPA method is discussed followed by sections on the linearized augmented plane wave (LAPW) and linearized muffin-tin orbitals (LMTO) methods. Band theory methods beyond the LDA, the self-interaction correction, the Lam-Platzman correction, the GW method, and Quantum Monte Carlo methods are described.

Keywords: band models; Compton profile; Coherent Phase Approximation; Korringa-Kohn-Rostoker method; Lam-Platzman correction; Local Density Approximation; Local Spin Density Approximation; Quantum Monte Carlo method

Chapter.  13106 words.  Illustrated.

Subjects: Atomic, Molecular, and Optical Physics

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