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Levine, Benjamin G., Coe, Joshua D., Virshup, Aaron M., Martínez, Todd J. (2008) Implementation of ab initio multiple spawning in the Molpro quantum chemistry package. Chemical Physics, 347. 3-16 doi:10.1016/j.chemphys.2008.01.014

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Reference TypeJournal (article/letter/editorial)
TitleImplementation of ab initio multiple spawning in the Molpro quantum chemistry package
JournalChemical Physics
AuthorsLevine, Benjamin G.Author
Coe, Joshua D.Author
Virshup, Aaron M.Author
Martínez, Todd J.Author
Year2008 (May)Volume347
PublisherElsevier BV
DOIdoi:10.1016/j.chemphys.2008.01.014Search in ResearchGate
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Mindat Ref. ID5961585Long-form Identifiermindat:1:5:5961585:9
GUID0
Full ReferenceLevine, Benjamin G., Coe, Joshua D., Virshup, Aaron M., Martínez, Todd J. (2008) Implementation of ab initio multiple spawning in the Molpro quantum chemistry package. Chemical Physics, 347. 3-16 doi:10.1016/j.chemphys.2008.01.014
Plain TextLevine, Benjamin G., Coe, Joshua D., Virshup, Aaron M., Martínez, Todd J. (2008) Implementation of ab initio multiple spawning in the Molpro quantum chemistry package. Chemical Physics, 347. 3-16 doi:10.1016/j.chemphys.2008.01.014
In(n.d.) Chemical Physics Vol. 347. Elsevier BV

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Ko, Chaehyuk, Virshup, Aaron M., Martínez, Todd J. (2008) Electrostatic control of photoisomerization in the photoactive yellow protein chromophore: Ab initio multiple spawning dynamics. Chemical Physics Letters, 460. 272-277 doi:10.1016/j.cplett.2008.05.029
Coe, Joshua D., Levine, Benjamin G., Martínez, Todd J. (2007) Ab Initio Molecular Dynamics of Excited-State Intramolecular Proton Transfer Using Multireference Perturbation Theory†. The Journal of Physical Chemistry A, 111 (44). 11302-11310 doi:10.1021/jp072027b
Coe, Joshua D., J. Martinez, Todd (2008) Ab initio multiple spawning dynamics of excited state intramolecular proton transfer: the role of spectroscopically dark states. Molecular Physics, 106. 537-545 doi:10.1080/00268970801901514
Meek, Garrett A., Levine, Benjamin G. (2015) Accurate and efficient evaluation of transition probabilities at unavoided crossings in ab initio multiple spawning. Chemical Physics, 460. 117-124 doi:10.1016/j.chemphys.2015.06.007
Levine, Benjamin G., Martínez, Todd J. (2009) Ab Initio Multiple Spawning Dynamics of Excited Butadiene: Role of Charge Transfer. The Journal of Physical Chemistry A, 113 (46). 12815-12824 doi:10.1021/jp907111u
Tao, Hongli, Levine, Benjamin G., Martínez, Todd J. (2009) Ab Initio Multiple Spawning Dynamics Using Multi-State Second-Order Perturbation Theory. The Journal of Physical Chemistry A, 113 (49). 13656-13662 doi:10.1021/jp9063565
Yang, Sandy, Coe, Joshua D., Kaduk, Benjamin, Martínez, Todd J. (2009) An “optimal” spawning algorithm for adaptive basis set expansion in nonadiabatic dynamics. The Journal of Chemical Physics, 130 (13). 134113pp. doi:10.1063/1.3103930
Ben-Nun, M., Quenneville, Jason, Martínez, Todd J. (2000) Ab Initio Multiple Spawning:  Photochemistry from First Principles Quantum Molecular Dynamics. The Journal of Physical Chemistry A, 104 (22). 5161-5175 doi:10.1021/jp994174i
Curchod, Basile F. E., Sisto, Aaron, Martínez, Todd J. (2017) Ab Initio Multiple Spawning Photochemical Dynamics of DMABN Using GPUs. The Journal of Physical Chemistry A, 121 (1). 265-276 doi:10.1021/acs.jpca.6b09962
Levine, Benjamin G., Coe, Joshua D., Martínez, Todd J. (2008) Optimizing Conical Intersections without Derivative Coupling Vectors:  Application to Multistate Multireference Second-Order Perturbation Theory (MS-CASPT2)†. The Journal of Physical Chemistry B, 112 (2). 405-413 doi:10.1021/jp0761618
Rana, Bhaskar, Hohenstein, Edward G., Martínez, Todd J. (2024) Simulating the Excited-State Dynamics of Polaritons with Ab Initio Multiple Spawning. The Journal of Physical Chemistry A, 128 (1) 139-151 doi:10.1021/acs.jpca.3c06607
 
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