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External_field
Francois Mauger edited this page Jul 7, 2024
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External fields can be applied to time-dependent calculations to model the interaction with, e.g., an external driving laser. The one-dimensional implementation of the QMol-grid package defines the following types of external fields
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QMol_extField_dipole: External driving field in the dipole approximation.
This wiki is a copy of the documentation provided with the QMol-grid package (accessible in MATLAB documentation, via the "Supplemental Software" section).
Copyright © 2024, Francois Mauger, all right reserved.
Density-functional theory (DFT)
QMol_DFT_densityQMol_DFT_eigsQMol_DFT_eig_basisQMol_DFT_orbitalQMol_DFT_orbital_basisQMol_DFT_profilerQMol_DFT_SCF_AndersonQMol_DFT_spinPolQMol_DFT_spinResQMol_DFT_Vc_LDA_softQMol_DFT_VextQMol_DFT_Vh_convQMol_DFT_Vh_fftQMol_DFT_VksQMol_DFT_Vks_basisQMol_DFT_Vks_gradQMol_DFT_Vx_LDA_expQMol_DFT_Vx_LDA_softQMol_DFT_Vx_XX_convQMol_DFT_Vx_XX_fft
Tutorials
- Tutorial 1: Schrödinger-equation ground state
- Tutorial 2: Schrödinger-equation input and output
- Tutorial 3: Time-dependent Schrödinger equation
- Tutorial 4: Time-dependent Schrödinger-equation input and output
- Tutorial 5: Density-functional theory ground state
- Tutorial 6: Time-dependent density-functional theory
- Tutorial 7: Time-dependent density-functional theory input and output