Materials Science · Physics
Questaal: a package of electronic structure methods based on the linear muffin-tin orbital technique
Dimitar Pashov, Swagata Acharya, Walter R. L. Lambrecht, Jerome Jackson +4
2020-01-22
Materials Science · Physics
Full-Potential LMTO: Total Energy and Force Calculations
John M Wills, Olle Eriksson, Mebarek Alouani, David L. Price
2007-05-23
Numerical Analysis · Mathematics
A Parallel Orbital-Updating Approach for Electronic Structure Calculations
Xiaoying Dai, Xingao Gong, Aihui Zhou, Jinwei Zhu
2014-11-06
Numerical Analysis · Mathematics
A Parallel Orbital-updating Based Optimization Method for Electronic Structure Calculations
Xiaoying Dai, Zhuang Liu, Xin Zhang, Aihui Zhou
2015-11-20
Strongly Correlated Electrons · Physics
Ab initio electronic structure calculation of correlated systems: EMTO-DMFT approach
L. Chioncel, L. Vitos, I. A. Abrikosov, J. Kollar +2
2007-05-23
Materials Science · Physics
Efficient methods for computing integrals in electronic structure calculations
Hisashi Kohashi, Kosuke Sugita, Masaaki Sugihara, Takeo Hoshi
2019-04-10
Computational Physics · Physics
High Performance GPU Accelerated MuST Software
Xiao Liang, Edward Hanna, Derek Simmel, Hang Liu +1
2023-09-01
Superconductivity · Physics
Rigid muffin-tin approximation in plane-wave codes for fast modeling of phonon-mediated superconductors
Danylo Radevych, Tatsuya Shishidou, Michael Weinert, Elena R. Margine +2
2025-09-01
Condensed Matter · Physics
Developing the MTO Formalism
O. K. Andersen, T. Saha-Dasgupta, R. W. Tank, C. Arcangeli +2
2009-09-25
Strongly Correlated Electrons · Physics
First-principles Calculations of the Electronic Structure and Spectra of Strongly Correlated Systems: Dynamical Mean-field Theory
V. I. Anisimov, A. I. Poteryaev, M. A. Korotin, A. O. Anokhin +1
2009-10-30
Strongly Correlated Electrons · Physics
Plane-wave based electronic structure calculations for correlated materials using dynamical mean-field theory and projected local orbitals
B. Amadon, F. Lechermann, A. Georges, F. Jollet +2
2009-11-13