Positive semidefinite tensor factorizations of the two-electron integral matrix for low-scaling ab initio electronic structure

Keyphrases

• Ab Initio Electronic Structure 100%
• Two-electron Integrals 100%
• Integral Matrices 100%
• Cholesky Factorization 100%
• Positive Semidefinite Factorization 100%
• Density Functional Theory 66%
• Electronic Structure Calculations 66%
• Computational Cost 33%
• Inorganic Molecules 33%
• Electron Correlation 33%
• Positive Semidefinite 33%
• Alkane Chain 33%
• Potential Energy Curves 33%
• Hartree-Fock 33%
• Multireference 33%
• Hartree-Fock Method 33%
• Tensor Factorization 33%
• Reference Correlation 33%
• Computational Scaling 33%
• Generalized Family 33%
• Generalized Factorization 33%

Mathematics

• Tensor 100%
• Matrix (Mathematics) 100%
• Positive Semidefinite 100%
• Integral 100%
• Energy Levels 100%
• Electronic State 100%
• Cholesky Factorization 75%
• Density Functional 50%
• Computational Cost 25%
• Parametric 25%
• Electron Correlation 25%