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Dalton
Dalton
may refer to:
Places
Canada
Dalton, Algoma District, Ontario
Dalton Township, Ontario
Dalton Armoury
, Scarborough, Ontario, a Canadian Forces facility
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Dalton (program)
Dalton
(named after
John Dalton
) is an
ab initio
quantum chemistry
computer program. It is capable of calculating various molecular properties using the Hartree–Fock, MP2,
MCSCF
and
coupled cluster
theories. Version 2.0 of DALTON added support for
density functional theory
calculations. There are many authors, including
Trygve Helgaker
,
Poul Jørgensen
and
Kenneth Ruud
.
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