Quantum mechanical/quantum mechanical methods. I. A divide and conquer strategy for solving the Schrödinger equation for large molecular systems using a composite density functional–semiempirical Hamiltonian
Gogonea, Valentin, Westerhoff, Lance M., Merz, Kenneth M.Volume:
113
Year:
2000
Language:
english
Journal:
The Journal of Chemical Physics
DOI:
10.1063/1.1290608
File:
PDF, 563 KB
english, 2000