A mathematical programming formulation for the Hartree-Fock problem on open-shell systems
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- Branching and bounds tighteningtechniques for non-convex MINLP
- Deterministic global optimization in ab-initio quantum chemistry
- Electronic Structure
- Minimization by Random Search Techniques
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- Reformulations in Mathematical Programming: Definitions and Systematics
- Reformulations in mathematical programming: automatic symmetry detection and exploitation
- Semidefinite relaxations for partitioning, assignment and ordering problems
- Symmetry in mathematical programming
Cited in
(5)- A review on the derivation of the spin-restricted Hartree-Fock (RHF) self-consistent field (SCF) equations for open-shell systems. Description of different methods to handle the off-diagonal multipliers coupling closed and open shells
- Development of algebraic techniques for the atomic open-shell MBPT(3)
- Optimization techniques in energy calculations involving the Hartree-Fock density matrix
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