 Here is a simplified Python code using the PySCF library for calculating the coupling matrix for Singlet Energy Transfer (SET) and Triplet Energy Transfer (TET) between two molecules. Note that this is a basic example and might need adjustments based on your specific molecules and system.

```python
import numpy as np
from pyscf import gto, scf, ccsd

def coulomb_integrals(mol1, mol2, mo_coeff1, mo_coeff2):
    ints = mol1.intor('coul', (2, 2)) + mol2.intor('coul', (2, 2))
    ints -= np.einsum('ij,ij->', mo_coeff1, mo_coeff1) - np.einsum('ij,ij->', mo_coeff2, mo_coeff2)
    return ints

def exchange_integrals(mol1, mol2, mo_coeff1, mo_coeff2):
    ints = mol1.intor('erd', (2, 2)) + mol2.intor('erd', (2, 2))
    ints -= np.einsum('ij,ij->', mo_coeff1, mo_coeff1) + np.einsum('ij,ij->', mo_coeff2, mo_coeff2)
    return 2 * ints

def cis_calculation(mol, chi):
    mf = scf.RHF(mol)
    mf.kernel()
    ccsd_cis = ccsd.CCSD(mf)
    ccsd_cis.kernel(nroots=chi.nelectron, eom_guess=chi.mo_coeff)
    return ccsd_cis.mo_coeff

def intermolecular_2e_integrals(mol1, mol2, mo_coeff1, mo_coeff2):
    ints = np.zeros((len(mo_coeff1), len(mo_coeff2)))
    for i, aoi in enumerate(mol1.intor('aoi', (2, 2))):
        for j, aoj in enumerate(mol2.intor('aoi', (2, 2))):
            ints[i, j] = aoi.dot(aoj)
    return ints

def transform_integrals(ints, mo_coeff1, mo_coeff2):
    return np.einsum('ij,kl->', ints, np.einsum('ik,jl->', mo_coeff1, mo_coeff2))

def jk_coupling(J, K, DFT_XC):
    J_MO = transform_integrals(J, J, J)
    K_MO = transform_integrals(K, K, K)
    DFT_XC_MO = transform_integrals(DFT_XC, DFT_XC, DFT_XC)
    return J_MO + K_MO - DFT_XC_MO

def overall_coupling(J, K, DFT_XC, intermolecular_2e_integrals):
    J_MO = jk_coupling(J, K, DFT_XC)
    JT_MO = transform_integrals(coulomb_integrals(mol1, mol2, mo_coeff1, mo_coeff2), J, K)
    JP_MO = transform_integrals(exchange_integrals(mol1, mol2, mo_coeff1, mo_coeff2), J, K)
    return J_MO + JT_MO + JP_MO

# Define your molecules
mol1 = gto.Mole()
mol1.atom = 'H 0 0 0; F 0 0 1.4'
mol1.basis = '6-31g'
mol1.spin = 0
mol1.build()

mol2 = gto.Mole()
mol2.atom = 'H 0 0 0; F 0 0 -1.4'
mol2.basis = '6-31g'
mol2.spin = 0
mol2.build()

# Perform CIS calculations for the excited states
chi1 = cis_calculation(mol1, mol1)
chi2 = cis_calculation(mol2, mol2)

# Calculate intermolecular 2e integrals
intermolecular_2e = intermolecular_2e_integrals(mol1, mol2, chi1.mo_coeff, chi2.mo_coeff)

# Transform integrals to MO basis
J = coulomb_integrals(mol1, mol2, chi1.mo_coeff, chi2.mo_coeff)
K = exchange_integrals(mol1, mol2, chi1.mo_coeff, chi2.mo_coeff)
DFT_XC = mol1.xc() + mol2.xc()
J_MO = transform_integrals(J, J, J)
K_MO = transform_integrals(K, K, K)
DFT_XC_MO = transform_integrals(DFT_XC, DFT_XC, DFT_XC)

# Compute the J-type and K-type coupling
J_MO_final = J_MO + JT_MO + JP_MO

# Evaluate the overall coupling term
overall_coupling_term = jk_coupling(J, K, DFT_XC, intermolecular_2e) + J_MO_final
```

This code calculates the coupling matrix for SET and TET between two fluorine molecules with hydrogen atoms. It performs CIS calculations for the excited states of the two molecules, calculates the intermolecular 2e integrals, transforms these integrals to MO basis, and computes the J-type and K-type coupling. The overall coupling term is then evaluated.