Pages that link to "Item:Q3412542"
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The following pages link to Electronic Structure Calculations for Solids and Molecules (Q3412542):
Displaying 18 items.
- Accelerating large partial EVD/SVD calculations by filtered block Davidson methods (Q341332) (← links)
- \texttt{NWChem}: a comprehensive and scalable open-source solution for large scale molecular simulations (Q536939) (← links)
- A spectral scheme for Kohn-Sham density functional theory of clusters (Q729158) (← links)
- Full-potential electronic structure method. Energy and force calculations with density functional and dynamical mean field theory (Q992768) (← links)
- Pseudopotential for electronic structure calculations of uranium compounds (Q1682846) (← links)
- Cyclic density functional theory: a route to the first principles simulation of bending in nanostructures (Q2119187) (← links)
- Chirp-wave expansion of the electron wavefunctions in atoms (Q2252407) (← links)
- Complexities in modeling of heterogeneous catalytic reactions (Q2629482) (← links)
- Model Hamiltonians and first principles electronic structure calculations. (Q2776441) (← links)
- The embedding method for electronic structure (Q2796915) (← links)
- Interatomic bonding in solids. Fundamentals, simulation, applications (Q2868796) (← links)
- Theoretical approaches to the temperature and zero-point motion effects on the electronic band structure (Q3084632) (← links)
- Electronic Structure (Q5114473) (← links)
- Covariant response theory and the boost transform of the dielectric tensor (Q5242314) (← links)
- \textsf{PWDFT.jl}: a Julia package for electronic structure calculation using density functional theory and plane wave basis (Q6040075) (← links)
- A Framework for a Generalization Analysis of Machine-Learned Interatomic Potentials (Q6051541) (← links)
- A theoretical case study of the generalization of machine-learned potentials (Q6125490) (← links)
- Quantum ESPRESSO course for solid-state physics (Q6487710) (← links)
