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  • QuantumSpectra-2024

Getting Started

  • Installation
    • Install QS-2024
    • Update QS-2024
    • Configure GPU calculations
  • Usage
    • Running from the command line (CLI)
    • Using as a package

Models

  • Two-State Model
    • Model Name
    • Parameters
      • Model Parameters
        • TwoStateModel.broadening
        • TwoStateModel.temperature_kelvin
        • TwoStateModel.transfer_integral
        • TwoStateModel.energy_gap
        • TwoStateModel.mode_basis_sets
        • TwoStateModel.mode_frequencies
        • TwoStateModel.mode_couplings
      • General Parameters
        • TwoStateModel.start_energy
        • TwoStateModel.end_energy
        • TwoStateModel.num_points
    • Examples
      • CLI Usage
      • Package Usage
    • Full Class
      • TwoStateModel
        • TwoStateModel.get_absorption()
        • TwoStateModel.get_hamiltonian()
        • TwoStateModel.apply_electric_field()
  • MLJ Model
    • Model Name
    • Parameters
      • Model Parameters
        • MLJModel.basis_size
        • MLJModel.temperature_kelvin
        • MLJModel.energy_gap
        • MLJModel.disorder_meV
        • MLJModel.mode_frequencies
        • MLJModel.mode_couplings
      • General Parameters
        • MLJModel.start_energy
        • MLJModel.end_energy
        • MLJModel.num_points
    • Examples
      • CLI Usage
      • Package Usage
    • Full Class
      • MLJModel
        • MLJModel.get_absorption()
        • MLJModel.get_low_high_frequency_modes()
        • MLJModel.apply_electric_field()
        • MLJModel._verify_modes()
  • Stark Model
    • Model Name
    • Parameters
      • Model Parameters
        • StarkModel.neutral_submodel
        • StarkModel.positive_field_strength
        • StarkModel.positive_field_sum_percent
        • StarkModel.field_delta_dipole
        • StarkModel.field_delta_polarizability
      • General Parameters
        • StarkModel.start_energy
        • StarkModel.end_energy
        • StarkModel.num_points
    • Examples
      • CLI Usage
      • Package Usage
    • Full Class
      • StarkModel
        • StarkModel.get_absorption()
        • StarkModel.get_neutral_submodel()
        • StarkModel.get_charged_submodel()

Computation Information

  • Two-State Computation
    • Spectrum Broadening
      • broaden_peaks()
      • compute_gaussians()
      • compute_peaks()
      • compute_peak_energies()
      • compute_peak_intensities()
      • compute_peak_probability_scalars()
      • filter_peaks()
    • Hamiltonian Model
      • diagonalize_matrix()
      • build_matrix()
      • build_local_state_block()
      • build_nonlocal_state_block()
      • build_state_block()
      • calculate_state_local_diagonals()
      • calculate_state_offdiagonals()
      • calculate_mode_local_diagonal_component()
      • calculate_mode_offdiagonal_component()
      • outer_sum()
  • MLJ Computation
    • Calculation
      • calculate_mlj_spectrum()
  • Stark Computation
    • Electric Field Effects

Additional Information

  • Config Files
    • Tables
    • out Table
      • out.filename
      • out.data
      • out.plot
      • out.overwrite
    • model Table
      • Required Model Parameters
        • model.name
      • Optional Model Parameters
        • model.start_energy
        • model.end_energy
        • model.num_points
      • Parameterizing Submodels
    • Sample Configs
      • Two-State Example
      • MLJ Example
      • Stark Example
  • AbsorptionSpectrum class
QuantumSpectra-2024
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© Copyright 2024, Ben Koppe. Revision 3bb85ba3.

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