Molecular Magnetism and Materials-Theory and Applications
Yoshida Laboratory Mino Yoshitaka. Contents Introduction – Material properties of La 2-x Sr x CuO 4 (LSCO) – Purpose of my study Calculation method –
Javier Junquera Fundamentals: the quantum-mechanical many-electron problem and the Density Functional Theory approach.
First Principles Calculations of Complex Oxide Perovskites David-Alexander Robinson Sch., Theoretical Physics, The University of Dublin, Trinity College.
David-Alexander Robinson Sch., Trinity College Dublin Dr. Anderson Janotti Prof. Chris Van de Walle Computational Materials Group Materials Research Laboratory,
Large-Scale Density Functional Calculations James E. Raynolds, College of Nanoscale Science and Engineering Lenore R. Mullin, College of Computing and.
Yoshida Lab M1 Yoshitaka Mino. C ONTENTS Computational Materials Design First-principles calculation Local Density Approximation (LDA) Self-Interaction.
Photoelectron Spectroscopy
Complex magnetism of small clusters on surfaces An approach from first principles
