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Variational calculations of fermion second-order reduced density matrices by semidefinite programming algorithm
M Nakata, H Nakatsuji, M Ehara, M Fukuda, K Nakata, K Fujisawa
The Journal of Chemical Physics 114 (19), 8282-8292, 2001
SERIES B: Operations Research
M Yamashita, K Katsuki Fujisawa, MN Nakata, M Fukuda, K Kobayashi, ...
Density matrix variational theory: Application to the potential energy surfaces and strongly correlated systems
M Nakata, M Ehara, H Nakatsuji
The Journal of chemical physics 116 (13), 5432-5439, 2002
Variational calculation of second-order reduced density matrices by strong -representability conditions and an accurate semidefinite programming solver
M Nakata, BJ Braams, K Fujisawa, M Fukuda, JK Percus, M Yamashita, ...
The Journal of chemical physics 128 (16), 164113, 2008
Large-scale semidefinite programs in electronic structure calculation
M Fukuda, BJ Braams, M Nakata, ML Overton, JK Percus, M Yamashita, ...
Mathematical programming 109 (2-3), 553-580, 2007
Latest developments in the SDPA family for solving large-scale SDPs
M Yamashita, K Fujisawa, M Fukuda, K Kobayashi, K Nakata, M Nakata
Handbook on semidefinite, conic and polynomial optimization, 687-713, 2012
PubChemQC project: A large-scale first-principles electronic structure database for data-driven chemistry
M Nakata, T Shimazaki
Journal of chemical information and modeling 57 (6), 1300-1308, 2017
A numerical evaluation of highly accurate multiple-precision arithmetic version of semidefinite programming solver: SDPA-GMP,-QD and-DD.
M Nakata
2010 IEEE International Symposium on Computer-Aided Control System Design, 29-34, 2010
Strange behaviors of interior-point methods for solving semidefinite programming problems in polynomial optimization
H Waki, M Nakata, M Muramatsu
Computational Optimization and Applications 53 (3), 823-844, 2012
Direct determination of the density matrix using the density equation: Potential energy curves of HF, CH4, BH3, NH3, and H2O
M Ehara, M Nakata, H Kou, K Yasuda, H Nakatsuji
Chemical physics letters 305 (5-6), 483-488, 1999
Direct determination of second-order density matrix using density equation: Open-shell system and excited state
M Nakata, M Ehara, K Yasuda, H Nakatsuji
The Journal of Chemical Physics 112 (20), 8772-8778, 2000
The MPACK (MBLAS/MLAPACK) a multiple precision arithmetic version of BLAS and LAPACK
M Nakata
http://mplapack. sourceforge. net/, 2010
Algorithm 925: Parallel solver for semidefinite programming problem having sparse schur complement matrix
M Yamashita, K Fujisawa, M Fukuda, K Nakata, M Nakata
ACM Transactions on Mathematical Software (TOMS) 39 (1), 1-22, 2012
Size extensivity of the variational reduced-density-matrix method
M Nakata, K Yasuda
Physical Review A 80 (4), 042109, 2009
High-performance general solver for extremely large-scale semidefinite programming problems
K Fujisawa, H Sato, S Matsuoka, T Endo, M Yamashita, M Nakata
SC'12: Proceedings of the International Conference on High Performance …, 2012
The second-order reduced density matrix method and the two-dimensional Hubbard model
JSM Anderson, M Nakata, R Igarashi, K Fujisawa, M Yamashita
Computational and Theoretical Chemistry 1003, 22-27, 2013
Supplementary-light method for measuring the conversion efficiency of multijunction solar cells
R Shimokawa, F Nagamine, M Nakata, K Fujisawa, Y Hamakawa
Japanese Journal of Applied Physics 28 (5A), L845, 1989
SDPA (SemiDefinite Programming Algorithm) and SDPA-GMP User's Manual-Version 7.1. 1
K Fujisawa, M Fukuda, K Kobayashi, M Kojima, K Nakata, M Nakata, ...
Research Reports on Mathematical and Computing Sciences, B-448, 2008
Relativistic quantum Monte Carlo method using zeroth-order regular approximation Hamiltonian
Y Nakatsuka, T Nakajima, M Nakata, K Hirao
The Journal of chemical physics 132 (5), 054102, 2010
A fast implementation of matrix-matrix product in double-double precision on Nvidia c2050 and application to semidefinite programming
M Nakata, Y Takao, S Noda, R Himeno
2012 Third International Conference on Networking and Computing, 68-75, 2012
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