Topic
ORCA
quantum chemistry program
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quantum chemistry program
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Not who you're looking for? Others named ORCA: wetsuit and sports apparel company · Screenreader; accessibility software · 1977 film by Michael Anderson · facility that uses direct air capture to remove carbon dioxi
“I really didn't dare to send it across the Atlantic — the whales are so inconsiderate. They'd have been sure to want to borrow it to show to the little whales, quite forgetting that the salt water would be sure to ruin it.”
“The bottle-nosed whale is a furlong long”
“If there aren't any whaling ships, then whales may survive. Anything short of that is so much hot air.”
“After hearing a steady stream of reports of yachts being damaged in this region, plus seeing evidence of yachts on the hardstanding with rudder damage in virtually every marina since leaving La Coruna [in Spain], we were of course very concerned”
“Why not? It’s mating season. And I’m feeling lucky!”
“The skeleton of the whale furnishes but little clue to the shape of his fully invested body.”
Quotes via Wikiquote (CC BY-SA), each with its original source.
ORCA is a general-purpose quantum chemistry package featuring a variety of methods including semi-empirical, density functional theory, many-body perturbation, coupled cluster, and multireference methods. ORCA provides an easy-to-learn input structure and thus high accessibility of quantum chemical approaches and workflows. The ORCA program package is mainly developed by Frank Neese, the department of molecular theory and spectroscopy at the Max-Planck-Institut für Kohlenforschung, and the FACCTs GmbH which also manages commercial licensing to industry. ORCA is generally freely available for academic use.