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swMATH6125MaRDI QIDQ18259FDOQ18259

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Cited In (22)

Numerical Solution of the Hartree–Fock Equation in Multilevel Tensor-Structured Format
Smeared Coulomb potential orbitals. I: Asymptotic expansion
The crypto-Hermitian smeared-coordinate representation of wave functions
Numerical methods for Kohn–Sham density functional theory
Verification of the cross 3D algorithm on quantum chemistry data
Tensor numerical methods in quantum chemistry
Tensor decomposition in electronic structure calculations on 3D Cartesian grids
Non linear adjustments with external conditions
Mesh-free canonical tensor products for six-dimensional density matrix: computation of kinetic energy
Efficient hybrid-symbolic methods for quantum mechanical calculations
Fast and accurate 3D tensor calculation of the Fock operator in a general basis
Introduction to the theory of electronic non-adiabatic coupling terms in molecular systems
Computing electronic structures: a new multiconfiguration approach for excited states
Møller-Plesset (MP2) energy correction using tensor factorization of the grid-based two-electron integrals
Automatic code generation in density functional theory
Error estimates for Hermite and even-tempered Gaussian approximations in quantum chemistry
Block circulant and Toeplitz structures in the linearized Hartree-Fock equation on finite lattices: tensor approach
The determination of point groups from imprecise molecular geometries
A comparison of efficiency and accuracy of two-electron integrals calculation between two methods in multi-configuration time-dependent Hartree Fock frame
\textsc{Quantics}: a general purpose package for \textsc{quant}um molecular dynam\textsc{ics} simulations
M-CHIPR: a Mathematica program for constructing multi-state coupled adiabatic potential energy functions in triatomic molecule using many body partitioning approach
Unified regression model in fitting potential energy surfaces for quantum dynamics

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