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Public Member Functions | Public Attributes | List of all members
tdse::TDSESolver Class Reference

#include <tdse_solver.hpp>

Public Member Functions

 TDSESolver (int N, double L, double dt)
 
void set_potential (Potential p, double param=0.0)
 Build potential and recompute Thomas factorisations.
 
void init_gaussian (double x0, double y0, double kx, double ky, double sigma)
 Gaussian wavepacket: psi = A*exp(-(r-r0)^2/sigma^2)*exp(i*k*r), then normalised.
 
void set_mode (int k)
 Set psi to the k-th eigenmode (modes must be computed first).
 
void step ()
 Advance one full time step (Strang splitting).
 
void compute_modes (int k=8)
 
int at (int i, int j) const
 
double prob (int i, int j) const
 
double phase_ang (int i, int j) const
 
double compute_norm () const
 integral|psi|^2 dA (Gauss-Legendre over each grid strip).
 
double compute_energy () const
 <psi|H|psi> using 5-point Laplacian and the potential.
 
void renormalize ()
 

Public Attributes

int N
 Interior grid points per axis.
 
double L
 Domain length ([0,L]x[0,L])
 
double h
 Grid spacing = L/(N+1)
 
double dt
 Time step.
 
num::CVector psi
 NxN wavefunction (complex, length N^2)
 
num::Vector V
 NxN potential (real, length N^2)
 
std::vector< EigenMode > modes
 
bool modes_ready = false
 
Stats stats
 

Detailed Description

Definition at line 70 of file tdse_solver.hpp.

Constructor & Destructor Documentation

◆ TDSESolver()

tdse::TDSESolver::TDSESolver ( int  N,
double  L,
double  dt 
)

Definition at line 29 of file tdse_solver.cpp.

References init_gaussian().

Member Function Documentation

◆ at()

int tdse::TDSESolver::at ( int  i,
int  j 
) const
inline

Definition at line 107 of file tdse_solver.hpp.

References N.

Referenced by init_gaussian(), main(), phase_ang(), prob(), and set_potential().

◆ compute_energy()

double tdse::TDSESolver::compute_energy ( ) const

<psi|H|psi> using 5-point Laplacian and the potential.

Definition at line 173 of file tdse_solver.cpp.

References h, num::laplacian_stencil_2d(), N, psi, num::BasicVector< T >::size(), and V.

Referenced by main().

◆ compute_modes()

void tdse::TDSESolver::compute_modes ( int  k = 8)

Run Lanczos to find the k lowest eigenstates of H. For CircularWell also fills EigenMode::exact_energy via Bessel zero search.

Definition at line 195 of file tdse_solver.cpp.

References num::bessel_j(), num::brent(), tdse::CircularWell, tdse::EigenMode::energy, h, L, num::lanczos(), num::laplacian_stencil_2d(), modes, modes_ready, N, tdse::Stats::n_modes, tdse::EigenMode::phi, stats, and V.

Referenced by main().

◆ compute_norm()

double tdse::TDSESolver::compute_norm ( ) const

integral|psi|^2 dA (Gauss-Legendre over each grid strip).

Definition at line 168 of file tdse_solver.cpp.

References h, num::norm(), and psi.

Referenced by main().

◆ init_gaussian()

void tdse::TDSESolver::init_gaussian ( double  x0,
double  y0,
double  kx,
double  ky,
double  sigma 
)

Gaussian wavepacket: psi = A*exp(-(r-r0)^2/sigma^2)*exp(i*k*r), then normalised.

Definition at line 116 of file tdse_solver.cpp.

References at(), h, N, psi, and renormalize().

Referenced by main(), and TDSESolver().

◆ phase_ang()

double tdse::TDSESolver::phase_ang ( int  i,
int  j 
) const
inline

Definition at line 113 of file tdse_solver.hpp.

References at(), and psi.

Referenced by main().

◆ prob()

double tdse::TDSESolver::prob ( int  i,
int  j 
) const
inline

Definition at line 109 of file tdse_solver.hpp.

References at(), and psi.

Referenced by main().

◆ renormalize()

void tdse::TDSESolver::renormalize ( )

Definition at line 188 of file tdse_solver.cpp.

References h, num::norm(), psi, and num::scale().

Referenced by init_gaussian().

◆ set_mode()

void tdse::TDSESolver::set_mode ( int  k)

Set psi to the k-th eigenmode (modes must be computed first).

Definition at line 130 of file tdse_solver.cpp.

References modes, modes_ready, N, and psi.

Referenced by main().

◆ set_potential()

void tdse::TDSESolver::set_potential ( Potential  p,
double  param = 0.0 
)

Build potential and recompute Thomas factorisations.

Definition at line 44 of file tdse_solver.cpp.

References at(), tdse::Barrier, tdse::CircularWell, tdse::DoubleSlit, h, tdse::Harmonic, L, modes_ready, N, num::scale(), and V.

Referenced by main().

◆ step()

void tdse::TDSESolver::step ( )

Advance one full time step (Strang splitting).

Definition at line 153 of file tdse_solver.cpp.

References dt, stats, and tdse::Stats::step_ms.

Referenced by main().

Member Data Documentation

◆ dt

double tdse::TDSESolver::dt

Time step.

Definition at line 75 of file tdse_solver.hpp.

Referenced by step().

◆ h

double tdse::TDSESolver::h

Grid spacing = L/(N+1)

Definition at line 74 of file tdse_solver.hpp.

Referenced by compute_energy(), compute_modes(), compute_norm(), init_gaussian(), renormalize(), and set_potential().

◆ L

double tdse::TDSESolver::L

Domain length ([0,L]x[0,L])

Definition at line 73 of file tdse_solver.hpp.

Referenced by compute_modes(), and set_potential().

◆ modes

std::vector<EigenMode> tdse::TDSESolver::modes

Definition at line 80 of file tdse_solver.hpp.

Referenced by compute_modes(), main(), and set_mode().

◆ modes_ready

bool tdse::TDSESolver::modes_ready = false

Definition at line 81 of file tdse_solver.hpp.

Referenced by compute_modes(), main(), set_mode(), and set_potential().

◆ N

int tdse::TDSESolver::N

Interior grid points per axis.

Definition at line 72 of file tdse_solver.hpp.

Referenced by at(), compute_energy(), compute_modes(), init_gaussian(), set_mode(), and set_potential().

◆ psi

num::CVector tdse::TDSESolver::psi

NxN wavefunction (complex, length N^2)

Definition at line 77 of file tdse_solver.hpp.

Referenced by compute_energy(), compute_norm(), init_gaussian(), phase_ang(), prob(), renormalize(), and set_mode().

◆ stats

Stats tdse::TDSESolver::stats

Definition at line 83 of file tdse_solver.hpp.

Referenced by compute_modes(), main(), and step().

◆ V

num::Vector tdse::TDSESolver::V

NxN potential (real, length N^2)

Definition at line 78 of file tdse_solver.hpp.

Referenced by compute_energy(), compute_modes(), main(), and set_potential().

The documentation for this class was generated from the following files: