Search papers, labs, and topics across Lattice.
3
0
2
1
Orbital-optimized density functional calculations can reproduce absorption spectra with surprising accuracy, but struggle with multi-configurational states.
Traditional atomic basis sets can misrepresent dipole moments of Rydberg states, leading to significant inaccuracies even when excitation energies appear stable.
Stop wrestling with cumbersome simulation engine interfaces: ChemFit offers a Pythonic, massively concurrent framework for parameter optimization in computational chemistry.
