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Saddle Point Search Algorithms for Variational Density Functional Calculations of Excited Electronic States with Self-Interaction Correction.
Yorick Leonard Adrian Schmerwitz
Núria Urgell Ollé
Gianluca Levi
Hannes Jónsson
Published in:
PASC (2024)
Keyphrases
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saddle point
search algorithm
convex concave
primal dual
variational inequalities
penalty function
maximum margin
genetic algorithm
structured prediction
linear programming
hidden markov models
structured output