Large-scale semidefinite programs in electronic structure calculation
DOI10.1007/S10107-006-0027-YzbMATH Open1278.90495OpenAlexW2057185841MaRDI QIDQ868461FDOQ868461
Authors: Mituhiro Fukuda, Bastiaan J. Braams, Maho Nakata, Michael L. Overton, Jerome K. Percus, Makoto Yamashita, Zhengji Zhao 
Publication date: 5 March 2007
Published in: Mathematical Programming. Series A. Series B (Search for Journal in Brave)
Full work available at URL: https://doi.org/10.1007/s10107-006-0027-y
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- Large scale density functional calculations
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large-scale optimizationcomputational chemistrysemidefinite programming relaxationreduced density matrixrarallel computation
Applications of mathematical programming (90C90) Semidefinite programming (90C22) Parallel algorithms in computer science (68W10) Software, source code, etc. for problems pertaining to quantum theory (81-04)
Cites Work
- Semidefinite optimization
- Handbook of semidefinite programming. Theory, algorithms, and applications
- Quantum Theory of Many-Particle Systems. I. Physical Interpretations by Means of Density Matrices, Natural Spin-Orbitals, and Convergence Problems in the Method of Configurational Interaction
- Solving Large Scale Semidefinite Programs via an Iterative Solver on the Augmented Systems
- Title not available (Why is that?)
- Electron Correlation
- Reduction of the N-Particle Variational Problem
- First- and second-order methods for semidefinite programming
- On Linear Characterizations of Combinatorial Optimization Problems
Cited In (11)
- Necessary and sufficient conditions for realizability of point processes
- Variational density matrix optimization using semidefinite programming
- Abstract interpretation meets convex optimization
- First-order semidefinite programming for the two-electron treatment of many-electron atoms and molecules
- Solving large-scale semidefinite programs in parallel
- A conversion of an SDP having free variables into the standard form SDP
- Fast implementation for semidefinite programs with positive matrix completion
- Some Ulam’s reconstruction problems for quantum states
- A primal-dual semidefinite programming algorithm tailored to the variational determination of the two-body density matrix
- Implementation of a primal-dual method for SDP on a shared memory parallel architecture
- SDP Relaxations for Non-Commutative Polynomial Optimization
Uses Software
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