Ab initio calculations : methods and applications in chemistry / Petr Carsky, Miroslav Urban.

Míreanna comhchosúla

• Ab initio determination of molecular properties /
  de réir: Hinchliffe, Alan
  Foilsithe / Cruthaithe: (1987)
• Ab initio variational calculations of molecular vibrational-rotational spectra /
  de réir: Searles, D (Debra), 1965-
  Foilsithe / Cruthaithe: (1993)
• Monte Carlo methods in Ab Initio quantum chemistry /
  de réir: Hammond, B. L.
  Foilsithe / Cruthaithe: (1994)
• Comparison of ab initio quantum chemistry with experiment for small molecules : the state of the art /
  Foilsithe / Cruthaithe: (1985)
• A New dimension to quantum chemistry : analytic derivative methods in ab initio molecular electronic structure theory /
  Foilsithe / Cruthaithe: (1994)