Distinguishing Artificial and Essential Symmetry Breaking in a Single Determinant: Approach and Application to the C60, C36, and C20 Fullerenes

We present a thorough analysis of symmetry breaking observed in Hartree-Fock (HF) solutions of fullerenes C60, C36, and C20 in order to characterize the nature of electron correlation in them.... The content of this RSS Feed (c) The Royal Society of Chemistry

Source: RSC - Phys. Chem. Chem. Phys. latest articles - February 7, 2019 Category: Chemistry Authors: Joonho Lee Source Type: research