This Sample demonstrates the use of the Quantum Development Kit for Hamiltonian simulation by showing how to simulate molecular hydrogen (H₂). The sample walks through both simulating H₂ manually, and using the generator representation library provided in the canon.
Open the QsharpLibraries.sln solution in Visual Studio and set Samples/H2SimulationGUI/H2SimulationSample.fsproj as the startup project.
Press Start in Visual Studio to run the sample.
- Program.fs: F# code to interact with the Hamiltonian simulation operations provided in the canon and to plot the results.
- H2SimulationSample.fsproj: Main F# project for the Sample.
Note that this sample depends on the H2SimulationCmdLine sample and executes operations defined in Operation.qs.
The F# program provided with this sample compares the results of the simulation to exactly diagonalizing the Hamiltonian for each bond length.
- O'Malley et. al. https://arxiv.org/abs/1512.06860