 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 code assumes that the molecules are already defined and the necessary functions for CIS calculations are implemented.

```python
import pyscf
import numpy as np

def coulomb_integrals(mol1, mol2):
    ints1 = mol1.cint('coulomb')
    ints2 = mol2.cint('coulomb')
    ints = mol1.supercell([[1, 0, 0], [0, 1, 0], [0, 0, 1]], ints1, ints2)
    return ints

def exchange_integrals(mol1, mol2):
    ints1 = mol1.cint('erdm')
    ints2 = mol2.cint('erdm')
    ints = mol1.supercell([[1, 0, 0], [0, 1, 0], [0, 0, 1]], ints1, ints2)
    return ints

def intermolecular_2e_integrals(mol1, mol2):
    coulomb = coulomb_integrals(mol1, mol2)
    exchange = exchange_integrals(mol1, mol2)
    return coulomb + exchange

def transform_integrals_to_mo(mol, integrals):
    mo_coeff = mol.mo_coeff()
    return mol.transform(integrals, mo_coeff, mo_coeff)

def calculate_j_k_terms(mol, integrals_mo):
    c = mol.make_cube()
    r12 = np.linalg.norm(c - c[0], axis=1) ** 3
    j, k = 0, 0
    for i, jj in enumerate(integrals_mo):
        for j, ii in enumerate(integrals_mo[i]):
            j += ii * ii * np.exp(-r12[i] / (4 * pyscf.constants.au2bohr**2))
            k += 3 * ii * jj * np.exp(-r12[j] / (4 * pyscf.constants.au2bohr**2))
    return j, k

def dft_xc_contribution(mol1, mol2):
    xc_code1 = format_xc_code(mol1.xc())
    xc_code2 = format_xc_code(mol2.xc())
    ints1 = mol1.xc_kernel(xc_code1)
    ints2 = mol2.xc_kernel(xc_code2)
    ints = mol1.supercell([[1, 0, 0], [0, 1, 0], [0, 0, 1]], ints1, ints2)
    return ints

def overall_coupling_term(mol1, mol2):
    integrals_2e = intermolecular_2e_integrals(mol1, mol2)
    integrals_mo1 = transform_integrals_to_mo(mol1, integrals_2e)
    integrals_mo2 = transform_integrals_to_mo(mol2, integrals_2e.T)
    j, k = calculate_j_k_terms(mol1, integrals_mo1)
    xc = dft_xc_contribution(mol1, mol2)
    return j + k + xc
```

This code calculates the Coulomb and exchange integrals across the two molecules, transforms these integrals to molecular orbital (MO) basis, computes the J-type and K-type coupling, and includes the DFT XC contribution. The overall coupling term is then evaluated.