Adiabatic state preparation study of methylene.

Area of Science:

• Quantum computing
• Quantum chemistry
• Computational physics

Background:

• Quantum computers offer potential advantages over classical computers for complex problems.
• Simulating quantum systems is a key application in quantum chemistry.
• Accurate initial wave function guesses are crucial for quantum simulation algorithms.

Purpose of the Study:

• To apply and investigate the adiabatic state preparation method for the lowest lying multireference singlet electronic state of methylene.
• To explore the method's performance at various molecular geometries.
• To propose modifications for accelerating the state preparation process.

Main Methods:

• Numerical investigation of adiabatic state preparation.
• Application to the methylene molecule.
• Decomposition of the adiabatic state preparation into two-qubit interactions.

Main Results:

• Successful application of adiabatic state preparation to methylene's electronic state.
• Identification of molecular geometries influencing preparation efficiency.
• Proposed modifications to enhance the speed of the preparation process.
• Decomposition of the minimal adiabatic state preparation into two-qubit interactions.

Conclusions:

• Adiabatic state preparation is a viable method for preparing specific quantum states in molecules.
• Optimizations can significantly speed up the quantum state preparation process.
• The method can be decomposed into fundamental two-qubit interactions, relevant for quantum hardware implementation.