Physics Questions and Solutions
Exchange-Correlation Functionals Exchange-Correlation Functionals GW Approximation Questions related to the GW Approximation. XC Functionals Hybrid Functionals in SIESTA. TDDFT Time-Depenent Density Functional Theory (TDDFT) Atomic Charges Atomic charges category Molecular Dynamics Molecular Dynamics in SIESTA.
Topic | Replies | Views | Activity | |
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About the Physics Questions and Solutions category | 0 | 487 | October 24, 2018 | |
How to solve the energy jump problem of molecular dynamics? | 0 | 223 | July 15, 2023 | |
Siesta Bethe-Salpeter | 1 | 242 | July 11, 2023 | |
Fermi level for semiconductors | 0 | 267 | June 21, 2022 | |
Optical properties by siesta | 2 | 1598 | August 7, 2020 | |
How to calculate PDOS at a vacuum on top of a slab | 1 | 736 | June 19, 2020 | |
Spin-Orbit Coupling (SOC) | 3 | 768 | December 18, 2019 | |
Molecular Dynamics | 1 | 587 | November 7, 2018 | |
LDA+U in SIESTA | 1 | 1465 | November 7, 2018 | |
Hybrid Functionals in SIESTA | 1 | 1636 | November 7, 2018 | |
Solvent Model | 1 | 521 | November 7, 2018 | |
GW Approximation in SIESTA | 1 | 1240 | November 7, 2018 | |
Time-Dependent Density Functional Theory (TDDFT) | 1 | 2731 | November 7, 2018 | |
Van der Waals exchange-correlation functional | 1 | 1240 | November 7, 2018 | |
Charge density partitioning | 1 | 510 | October 30, 2018 |