Matches in SemOpenAlex for { <https://semopenalex.org/work/W2972444344> ?p ?o ?g. }
- W2972444344 abstract "The Chronus Quantum (ChronusQ) software package is an open source (under the GNU General Public License v2) software infrastructure which targets the solution of challenging problems that arise in ab initio electronic structure theory. Special emphasis is placed on the consistent treatment of time dependence and spin in the electronic wave function, as well as the inclusion of relativistic effects in said treatments. In addition, ChronusQ provides support for the inclusion of uniform finite magnetic fields as external perturbations through the use of gauge-including atomic orbitals (GIAO). ChronusQ is a parallel electronic structure code written in modern C++ which utilizes both message passing (MPI) and shared memory (OpenMP) parallelism. In addition to the examination of the current state of code base itself, a discussion regarding ongoing developments and developer contributions will also be provided." @default.
- W2972444344 created "2019-09-19" @default.
- W2972444344 creator A5007317870 @default.
- W2972444344 creator A5013570935 @default.
- W2972444344 creator A5015803897 @default.
- W2972444344 creator A5018159021 @default.
- W2972444344 creator A5021911829 @default.
- W2972444344 creator A5025694056 @default.
- W2972444344 creator A5026172995 @default.
- W2972444344 creator A5030929196 @default.
- W2972444344 creator A5043778112 @default.
- W2972444344 creator A5055658408 @default.
- W2972444344 creator A5059776754 @default.
- W2972444344 creator A5061947920 @default.
- W2972444344 creator A5066873563 @default.
- W2972444344 creator A5078658315 @default.
- W2972444344 creator A5085701985 @default.
- W2972444344 date "2019-09-10" @default.
- W2972444344 modified "2023-10-18" @default.
- W2972444344 title "The Chronus Quantum software package" @default.
- W2972444344 cites W1127961892 @default.
- W2972444344 cites W1144913575 @default.
- W2972444344 cites W1508697289 @default.
- W2972444344 cites W1963495087 @default.
- W2972444344 cites W1969472345 @default.
- W2972444344 cites W1971096119 @default.
- W2972444344 cites W1974667766 @default.
- W2972444344 cites W1974755878 @default.
- W2972444344 cites W1979287145 @default.
- W2972444344 cites W1979728329 @default.
- W2972444344 cites W1980752485 @default.
- W2972444344 cites W1983157164 @default.
- W2972444344 cites W1983497879 @default.
- W2972444344 cites W1987874655 @default.
- W2972444344 cites W1988425770 @default.
- W2972444344 cites W1988960335 @default.
- W2972444344 cites W1988982985 @default.
- W2972444344 cites W1989538891 @default.
- W2972444344 cites W1993987675 @default.
- W2972444344 cites W1999205710 @default.
- W2972444344 cites W1999363310 @default.
- W2972444344 cites W2000154580 @default.
- W2972444344 cites W2004113418 @default.
- W2972444344 cites W2006126044 @default.
- W2972444344 cites W2006384005 @default.
- W2972444344 cites W2009596258 @default.
- W2972444344 cites W2010813106 @default.
- W2972444344 cites W2012458244 @default.
- W2972444344 cites W2012868161 @default.
- W2972444344 cites W2012887795 @default.
- W2972444344 cites W2013638696 @default.
- W2972444344 cites W2015762944 @default.
- W2972444344 cites W2016581123 @default.
- W2972444344 cites W2023323975 @default.
- W2972444344 cites W2027162983 @default.
- W2972444344 cites W2028134071 @default.
- W2972444344 cites W2028610229 @default.
- W2972444344 cites W2029016329 @default.
- W2972444344 cites W2029252141 @default.
- W2972444344 cites W2032110914 @default.
- W2972444344 cites W2033375222 @default.
- W2972444344 cites W2034812818 @default.
- W2972444344 cites W2035942888 @default.
- W2972444344 cites W2039763880 @default.
- W2972444344 cites W2041048247 @default.
- W2972444344 cites W2041519450 @default.
- W2972444344 cites W2042529692 @default.
- W2972444344 cites W2044524518 @default.
- W2972444344 cites W2045214161 @default.
- W2972444344 cites W2050056663 @default.
- W2972444344 cites W2050259998 @default.
- W2972444344 cites W2051642048 @default.
- W2972444344 cites W2052190297 @default.
- W2972444344 cites W2052677190 @default.
- W2972444344 cites W2057711597 @default.
- W2972444344 cites W2058122317 @default.
- W2972444344 cites W2061970644 @default.
- W2972444344 cites W2062745494 @default.
- W2972444344 cites W2064149169 @default.
- W2972444344 cites W2064872546 @default.
- W2972444344 cites W2066481445 @default.
- W2972444344 cites W2067718414 @default.
- W2972444344 cites W2069006374 @default.
- W2972444344 cites W2069545642 @default.
- W2972444344 cites W2074425494 @default.
- W2972444344 cites W2077368442 @default.
- W2972444344 cites W2082824279 @default.
- W2972444344 cites W2086174873 @default.
- W2972444344 cites W2086806986 @default.
- W2972444344 cites W2087992748 @default.
- W2972444344 cites W2092105878 @default.
- W2972444344 cites W2092188961 @default.
- W2972444344 cites W2092991068 @default.
- W2972444344 cites W2094403162 @default.
- W2972444344 cites W2104757784 @default.
- W2972444344 cites W2109665034 @default.
- W2972444344 cites W2114024615 @default.
- W2972444344 cites W2148284063 @default.
- W2972444344 cites W2149381887 @default.
- W2972444344 cites W2149894420 @default.