In this site we focused on the the areas of science incluod analytical chemisty, general chemistry, inorganic chemistry, organic chemistry, physical chemistry, and spectroscopy.(Online Chemistry Dictionary
)
Pages
▼
Pages - Menu
▼
6.6.11
ab initio computation
ab initio computation [PHYS CHEM] Computation of the geometry of a molecule solely
from a knowledge of its composition and molecular structure as derived from the
solution of the Schro ¨ dinger equation for the given molecule.