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Full-potential electronic structure method : energy and force calculations with density functional and dynamical mean field theory John Michael Wills
Material type:
TextLanguage: English Series: Springer series in solid-state sciences ; 167.Publication details: Berlin ; Heidelberg ; New York : Springer, ©2010.Description: xii, 197 pages: illustrations (some color)ISBN: - 9783642266249
- 530.411 WIL
Contents:
1 Introductory Information -- 2 Density Functional Theory and the Kohn -- Sham Equation -- 3 Consequences of Infinite Crystals and Symmetries -- 4 Introduction to Electronic Structure Theory -- 5 Linear Muffin-Tin Orbital Method in the Atomic Sphere Approximation -- 6 The Full-Potential Electronic Structure Problem and RSPt -- 7 Dynamical Mean Field Theory -- 8 Implementation -- 9 Obtaining RSPt from the Web -- 10 Total Energy and Forces: Some Numerical Examples -- 12 Magnetism -- 13 Excitated State Properties -- 14 A Database of Electronic Structures --
| Item type | Current library | Collection | Call number | Status | Date due | Barcode |
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General Books
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CUTN Central Library Sciences | Non-fiction | 530.411 WIL (Browse shelf(Opens below)) | Checked out to Ravindran P (PA1803) | 20/05/2020 | 31792 |
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| 530.411 LUL Symmetry and structural properties of condensed matter : | 530.411 MAR Electronic structure : | 530.411 MAR Electronic structure : | 530.411 WIL Full-potential electronic structure method : | 530.412 SIN Band theory and electronic properties of solids / | 530.413 OSS Disordered materials : | 530.416 BUT Simulations of oscillatory systems : |
1 Introductory Information -- 2 Density Functional Theory and the Kohn -- Sham Equation -- 3 Consequences of Infinite Crystals and Symmetries -- 4 Introduction to Electronic Structure Theory -- 5 Linear Muffin-Tin Orbital Method in the Atomic Sphere Approximation -- 6 The Full-Potential Electronic Structure Problem and RSPt -- 7 Dynamical Mean Field Theory -- 8 Implementation -- 9 Obtaining RSPt from the Web -- 10 Total Energy and Forces: Some Numerical Examples -- 12 Magnetism -- 13 Excitated State Properties -- 14 A Database of Electronic Structures --
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