Chemical bonds 5 Matrix algebra 4 Molecular dynamics 4 Atoms 3 Electrons 3 Molecular systems 3 Acetylene 2 Algorithms 2 Carrier concentration 2 Computational costs 2 Computational methods 2 Decomposition 2 Dilithium molecules 2 Energy decompositions 2 Functions 2 Molecular physics 2 Molecules 2 Quantum theory 2 Topology 2 Approximation theory 1 Atomic domains 1 Bond orders 1 Chemical picture 1 Condensed matter 1 Correlated state functions 1 Correlation methods 1 Costs 1 Cumulants 1 Density matrix 1 Eigenvalues and eigenfunctions 1