Dirac (program)

Dirac (program)

Dirac (named after Paul Dirac) is a relativistic ab initio quantum chemistry program. The full name is "Program for Atomic and Molecular Direct Iterative Relativistic All-electron Calculations", in short PAM Dirac. It is capable of calculating various molecular properties using the Hartree-Fock, MP2, density functional theory, configuration interaction and coupled cluster electronic structure theories. Dirac is one of the most successful general-purpose quantum chemistry packages that provides accurate description of relativistic effects in molecules, using the Dirac equation as its starting point. [cite journal | author = M. Reiher | title = Douglas-Kroll-Hess Theory: a relativistic electrons-only theory for chemistry | year = 2006 | journal = Theor. Chem. Acc. | volume = 116 | pages = 241-252] The program is available in source code form, at no cost, to the academic community.

The most recent version, [http://wiki.chem.vu.nl/dirac/index.php/Dirac08:Release_statement DIRAC08] , was released on September 19, 2008.

References

External links

* [http://dirac.chem.sdu.dk Dirac Homepage]
* [http://wiki.chem.vu.nl/dirac/index.php/Dirac_Program Dirac Wiki]


Wikimedia Foundation. 2010.

Игры ⚽ Поможем написать реферат

Look at other dictionaries:

  • Dirac (disambiguation) — Dirac may refer to: *people: ** Paul Dirac (1902–1984), a British theoretical physicist, Nobel laureate, and a founder of the field of quantum physics ** Gabriel Andrew Dirac (1925–1984), a graph theorist* in physics: ** Dirac bracket, a… …   Wikipedia

  • Dirac (software) — Dirac (named after Paul Dirac) is a relativistic ab initio quantum chemistry program. The full name is Program for Atomic and Molecular Direct Iterative Relativistic All electron Calculations , in short PAM Dirac. It is capable of calculating… …   Wikipedia

  • Dirac — may refer to: People Paul Dirac (1902–1984), British theoretical physicist, Nobel laureate, and a founder of the field of quantum physics Gabriel Andrew Dirac (1925–1984), graph theorist, Paul Dirac s stepson In physics Dirac bracket, a… …   Wikipedia

  • J. Robert Oppenheimer — J. Robert Oppenheimer, c. 1944 Born …   Wikipedia

  • Massachusetts Institute of Technology — Motto Mens et Manus Motto in English Mind and Hand[1] …   Wikipedia

  • Florida State University — Infobox University name = Florida State University motto = Vires, artes, mores (Latin) mottoeng =Strength, skill, character established =1851cite web|url=http://www.floridamemory.com/Timeline |title=State Library and Archives of Florida The… …   Wikipedia

  • Werner Heisenberg — Infobox Scientist box width = 300px name = Werner Heisenberg image size = 250px caption = Werner Karl Heisenberg (1901 1976). Photo taken circa 1926. birth date = birth date|1901|12|5|df=y birth place = Würzburg, Germany death date = death date… …   Wikipedia

  • Lensman series — The Lensman series is a serial science fiction space opera by E. E. Smith. It was also the original source which introduced many innovative concepts into science fiction. In this sense the series was ground breaking and defined an entire genre.… …   Wikipedia

  • Theora — Filename extension .ogv, .ogg Internet media type video/ogg Developed by Xiph.org Initial release June 1, 2004 (2004 06 01)[ …   Wikipedia

  • Comparison of video codecs — A video codec is software or a device that provides encoding and decoding which may or may not include the use of video compression and/or decompression for digital video. The compression may employ lossy data compression, so quality measurement… …   Wikipedia

Share the article and excerpts

Direct link
… Do a right-click on the link above
and select “Copy Link”