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 | |
|---|---|---|---|---|
| About the Physics Questions and Solutions category |
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0 | 522 | October 24, 2018 |
| How to solve the energy jump problem of molecular dynamics? |
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0 | 296 | July 15, 2023 |
| Siesta Bethe-Salpeter |
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1 | 340 | July 11, 2023 |
| Fermi level for semiconductors |
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0 | 319 | June 21, 2022 |
| Optical properties by siesta |
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2 | 1766 | August 7, 2020 |
| How to calculate PDOS at a vacuum on top of a slab |
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1 | 793 | June 19, 2020 |
| Spin-Orbit Coupling (SOC) |
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3 | 804 | December 18, 2019 |
| Molecular Dynamics |
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1 | 623 | November 7, 2018 |
| LDA+U in SIESTA |
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1 | 1538 | November 7, 2018 |
| Hybrid Functionals in SIESTA |
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1 | 1763 | November 7, 2018 |
| Solvent Model |
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1 | 609 | November 7, 2018 |
| GW Approximation in SIESTA |
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1 | 1353 | November 7, 2018 |
| Time-Dependent Density Functional Theory (TDDFT) |
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1 | 2849 | November 7, 2018 |
| Van der Waals exchange-correlation functional |
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1 | 1426 | November 7, 2018 |
| Charge density partitioning |
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1 | 558 | October 30, 2018 |