import pyscf

def calculate_CIS_excited_states(molecule):
    # Perform CIS calculations for excited states of molecule
    pass

def calculate_intermolecular_2e_integrals(molecule1, molecule2):
    # Calculate intermolecular 2e integrals
    pass

def transform_integrals_to_MO_basis(integrals):
    # Transform integrals to MO basis
    pass

def compute_J_type_coupling(integrals):
    # Compute J-type coupling
    pass

def compute_K_type_coupling(integrals):
    # Compute K-type coupling
    pass

def compute_Coulomb_integrals(molecule1, molecule2):
    # Compute Coulomb integrals across two molecules
    pass

def compute_exchange_integrals(molecule1, molecule2):
    # Compute exchange integrals across two molecules
    pass

def evaluate_coupling_term(J_coupling, K_coupling, DFT_XC_contributions):
    # Evaluate coupling term including J, K, and DFT XC contributions
    pass

def evaluate_overall_coupling_term(coupling_term):
    # Evaluate overall coupling term
    pass

# Main code
molecule1 = pyscf.Molecule()
molecule2 = pyscf.Molecule()

calculate_CIS_excited_states(molecule1)
calculate_CIS_excited_states(molecule2)

intermolecular_2e_integrals = calculate_intermolecular_2e_integrals(molecule1, molecule2)
MO_basis_integrals = transform_integrals_to_MO_basis(intermolecular_2e_integrals)

J_coupling = compute_J_type_coupling(MO_basis_integrals)
K_coupling = compute_K_type_coupling(MO_basis_integrals)

Coulomb_integrals = compute_Coulomb_integrals(molecule1, molecule2)
exchange_integrals = compute_exchange_integrals(molecule1, molecule2)

DFT_XC_contributions = Coulomb_integrals + exchange_integrals

coupling_term = evaluate_coupling_term(J_coupling, K_coupling, DFT_XC_contributions)

overall_coupling_term = evaluate_overall_coupling_term(coupling_term)