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【分享】很好的计算参考书：Computational Nanoscience Do It Yourself
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我这里有一本很好的计算参考资料： 《Computational Nanoscience Do It Yourself》 Methodological Foundations Introduction to Hartree-Fock and CI Methods Volker Staemmler, Ruhr-Universit?t Bochum Basis Sets, Accuracy, and Calibration in Quantum Chemistry Thomas Müller, NIC/ZAM, Forschungszentrum Jülich Introduction to Density Functional Theory and Exchange-Correlation Energy Functionals Robert O. Jones, IFF, Forschungszentrum Jülich The Pseudopotential Plane Wave Approach Bernd Meyer, Ruhr-Universit?t Bochum The Full-Potential Linearized Augmented Plane Wave Method Stefan Blügel, Gustav Bihlmayer, IFF, Forschungszentrum Jülich The Korringa-Kohn-Rostoker (KKR) Green Function Method I. Electronic Structure of Periodic Systems Phivos Mavropoulos, IFF, Forschungszentrum Jülich Nikos Papanikolaou, Institute of Microelectronics, NCSR Demokritos, Athens, Greece Molecular Dynamics - Vision and Reality Godehard Sutmann, NIC/ZAM, Forschungszentrum Jülich An Introduction to Ab Initio Molecular Dynamics Simulations Dominik Marx, Ruhr-Universit?t Bochum Advanced Concepts and Techniques Beyond Hartree-Fock: MP2 and Coupled Cluster Methods for Large Systems Christof H?ttig, Forschungszentrum Karlsruhe The Korringa-Kohn-Rostoker (KKR) Green Function Method II. Impurities and Clusters in the Bulk and on Surfaces Peter H. Dederichs, Samir Lounis, Rudolf Zeller, IFF, Forschungszentrum Jülich The Optimized Effective Potential Method and LDA + U Stefan Kurth, Stefano Pittalis, Freie Universit?t Berlin Many-Body Perturbation Theory: The GW Approximation Christoph Friedrich, Arno Schindlmayr, IFF, Forschungszentrum Jülich Time-Dependent Density Functional Theory Nikos Doltsinis, Ruhr-Universit?t Bochum Free Energy and Rare Events in Molecular Dynamics Nikos Doltsinis, Ruhr-Universit?t Bochum Molecular Dynamics Beyond the Born-Oppenheimer Approximation: Mixed Quantum-Classical Approaches Nikos Doltsinis, Ruhr-Universit?t Bochum Computing Properties Surface Phase Diagrams from Ab Initio Thermodynamics Bernd Meyer, Ruhr-Universit?t Bochum Spin-Polarized DFT Calculations and Magnetism Rudolf Zeller, IFF, Forschungszentrum Jülich Non-Collinear Magnetism: Exchange Parameter and TC Gustav Bihlmayer, IFF, Forschungszentrum Jülich Ab Initio Description of Electronic Transport Daniel Wortmann, IFF, Forschungszentrum Jülich Parallel Computing and Numerical Methods Introduction to Parallel Computing Bernd Mohr, NIC/ZAM, Forschungszentrum Jülich Parallel Linear Algebra Methods Bernd K?rfgen, Inge Gutheil, NIC/ZAM, Forschungszentrum Jülich 下载地址： http://ifile.it/b74n1e3 |
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11楼2009-08-11 08:08:30