- Home
- Search Results
- Page 1 of 1
Search for: All records
-
Total Resources3
- Resource Type
-
00030
- Availability
-
30
- Author / Contributor
- Filter by Author / Creator
-
-
Li, Xiaosong (3)
-
Lestrange, Patrick J. (2)
-
Petrone, Alessio (2)
-
DePrince, III, A. Eugene (1)
-
Ding, Feizhi (1)
-
Egidi, Franco (1)
-
Goings, Joshua J. (1)
-
Hoyer, Chad E. (1)
-
Jiménez-Hoyos, Carlos A. (1)
-
Kasper, Joseph (1)
-
Koulias, Lauren (1)
-
Lestrange, Patrick (1)
-
Nascimento, Daniel R. (1)
-
Stetina, Torin F. (1)
-
Sun, Shichao (1)
-
Valeev, Edward F. (1)
-
Wildman, Andrew (1)
-
Williams-Young, David B. (1)
-
Williams‐Young, David B. (1)
-
#Tyler Phillips, Kenneth E. (0)
-
- Filter by Editor
-
-
& Spizer, S. M. (0)
-
& . Spizer, S. (0)
-
& Ahn, J. (0)
-
& Bateiha, S. (0)
-
& Bosch, N. (0)
-
& Brennan K. (0)
-
& Brennan, K. (0)
-
& Chen, B. (0)
-
& Chen, Bodong (0)
-
& Drown, S. (0)
-
& Ferretti, F. (0)
-
& Higgins, A. (0)
-
& J. Peters (0)
-
& Kali, Y. (0)
-
& Ruiz-Arias, P.M. (0)
-
& S. Spitzer (0)
-
& Spitzer, S. (0)
-
& Spitzer, S.M. (0)
-
(submitted - in Review for IEEE ICASSP-2024) (0)
-
- (0)
-
-
Have feedback or suggestions for a way to improve these results?
!
Note: When clicking on a Digital Object Identifier (DOI) number, you will be taken to an external site maintained by the publisher.
Some full text articles may not yet be available without a charge during the embargo (administrative interval).
What is a DOI Number?
Some links on this page may take you to non-federal websites. Their policies may differ from this site.
-
Lestrange, Patrick J. ; Egidi, Franco ; Li, Xiaosong ( , The Journal of Chemical Physics)
-
Williams‐Young, David B. ; Petrone, Alessio ; Sun, Shichao ; Stetina, Torin F. ; Lestrange, Patrick ; Hoyer, Chad E. ; Nascimento, Daniel R. ; Koulias, Lauren ; Wildman, Andrew ; Kasper, Joseph ; et al ( , WIREs Computational Molecular Science)
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. ChronusQ is a parallel electronic structure code written in modern C++ which utilizes both message passing implementation 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.
This article is categorized under:
Software > Quantum Chemistry
Electronic Structure Theory > Ab Initio Electronic Structure Methods
Electronic Structure Theory > Density Functional Theory