Quick Start Examples

Run Type

Wavefunction

Potential

Basis

Backend

misc.

Example 1

Relaxation

MPS

Polynomial

HO-DVR

Numpy

H2O molecule

Example 2

Operation

MPS

Polynomial

HO-DVR

Numpy

Restart from Example 1

Example 3

Propagation

MPS

Polynomial

HO-DVR

Numpy

Restart from Example 2

Example 5

Propagation

MPS

Polynomial

HO-FBR

Numpy

Linear vibronic coupling model

Example 6

Propagation

MPS

HDMR func

HO-DVR

Numpy

Henon-Heiles Hamiltonian

Example 7

Propagation

MPS

HDMR func

Sine-DVR

Numpy

Henon-Heiles Hamiltonian

Example 9

Relaxation

MPS

HDMR grid

HO-DVR

JAX

Restart from Example 8

Example 10

Propagation

MPS

HDMR func

Sine,Exp-DVR

JAX

periodic boundary condition

Example 11

Propagation

MPS

Symbolic

Exciton+Sine+Exp

JAX

Same model as Example 10

Example 12

Propagation

MPS

Symbolic

Exciton, Boson

Numpy

Singlet fission + 183-D bath

Example 13

Propagation

MPS

Symbolic

Exciton, Boson

Numpy

Donor-Acceptor + 99-D bath

Example 14

Propagation

Liouville

Symbolic

Spin

Numpy

Electron and nuclear spins

Example 15

Propagation

MPS

Symbolic

Exciton, Boson

Numpy

Real space parallelization

Run Type

misc.

Example 4

Spectrum

Restart from Example 3

Example 8

Electronic structure calculation

ASE is required

Indices and tables