Polkovnik Javnost Razdeljevanje qchem scf guess Vsebuje kup pulover
MIT Open Access Articles #-SCF: A direct energy-targeting method to mean-field excited states
PDF) Q-Chem 3.0: A high-performance quantum chemistry program package for molecular electronic structure calculations CONTRIBUTING AUTHOR LIST | Emil Proynov - Academia.edu
Accelerating the Convergence of Self-Consistent Field Calculations Using the Many-Body Expansion | Journal of Chemical Theory and Computation
Q-Chem 4.1 User's Manual
Q-Chem 6.0 User's Manual
8.16.6 The fit-CRENBL ECP at a Glance‣ 8.16 A Brief Guide to Q-Chem's Built-In ECPs ‣ Chapter 8 Basis Sets and Effective Core Potentials ‣ Q-Chem 6.0 User's Manual
Assessment of Initial Guesses for Self-Consistent Field Calculations. Superposition of Atomic Potentials: Simple yet Efficient | Journal of Chemical Theory and Computation