The generality of the GUGA MRCI approach in COLUMBUS for treating complex quantum chemistry

Hans Lischka; Ron Shepard; Thomas Mueller; Peter G. Szalay; Russell M. Pitzer; Mario Barbatti; Lachlan T. Belcher; Jean-Philippe Blaudeau; Itamer Borges; Scott R. Brozell; Emily A. Carter; Anita Das; Gergely Gidofalvi; Leticia Gonzalez; William Hase; Gary Kedziora; Miklos Kertesz; Fabris Kossoski; Spiridoula Matsika; Dana Nachtigallova; Reed Nieman; Markus Oppel; Carol A. Parish; Felix Plasser; Eric A. Stahlberg; Elizete Ventura; David R. Yarkony; Zhiyong Zhang

The generality of the GUGA MRCI approach in COLUMBUS for treating complex quantum chemistry

Hans Lischka, Ron Shepard, Thomas Mueller, Peter G. Szalay, Russell M. Pitzer, Mario Barbatti, Lachlan T. Belcher, Jean-Philippe Blaudeau, Itamer Borges, Scott R. Brozell, Emily A. Carter, Anita Das, Gergely Gidofalvi, Leticia Gonzalez, William Hase, Gary Kedziora, Miklos Kertesz, Fabris Kossoski, Spiridoula Matsika, Dana NachtigallovaReed Nieman, Markus Oppel, Carol A. Parish, Felix Plasser, Eric A. Stahlberg, Elizete Ventura, David R. Yarkony, Zhiyong Zhang

Chemistry and Biochemistry

Research output: Contribution to journal › Article › peer-review

Original language	English
Pages (from-to)	134110
Journal	Journal of Chemical Physics
State	Published - 2020

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Lischka, H., Shepard, R., Mueller, T., Szalay, P. G., Pitzer, R. M., Barbatti, M., Belcher, L. T., Blaudeau, J-P., Borges, I., Brozell, S. R., Carter, E. A., Das, A., Gidofalvi, G., Gonzalez, L., Hase, W., Kedziora, G., Kertesz, M., Kossoski, F., Matsika, S., ... Zhang, Z. (2020). The generality of the GUGA MRCI approach in COLUMBUS for treating complex quantum chemistry. Journal of Chemical Physics, 134110.

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title = "The generality of the GUGA MRCI approach in COLUMBUS for treating complex quantum chemistry",

author = "Hans Lischka and Ron Shepard and Thomas Mueller and Szalay, {Peter G.} and Pitzer, {Russell M.} and Mario Barbatti and Belcher, {Lachlan T.} and Jean-Philippe Blaudeau and Itamer Borges and Brozell, {Scott R.} and Carter, {Emily A.} and Anita Das and Gergely Gidofalvi and Leticia Gonzalez and William Hase and Gary Kedziora and Miklos Kertesz and Fabris Kossoski and Spiridoula Matsika and Dana Nachtigallova and Reed Nieman and Markus Oppel and Parish, {Carol A.} and Felix Plasser and Stahlberg, {Eric A.} and Elizete Ventura and Yarkony, {David R.} and Zhiyong Zhang",

year = "2020",

language = "English",

pages = "134110",

journal = "The Journal of Chemical Physics",

issn = "0021-9606",

publisher = "American Institute of Physics",

}

Lischka, H, Shepard, R, Mueller, T, Szalay, PG, Pitzer, RM, Barbatti, M, Belcher, LT, Blaudeau, J-P, Borges, I, Brozell, SR, Carter, EA, Das, A, Gidofalvi, G, Gonzalez, L, Hase, W, Kedziora, G, Kertesz, M, Kossoski, F, Matsika, S, Nachtigallova, D, Nieman, R, Oppel, M, Parish, CA, Plasser, F, Stahlberg, EA, Ventura, E, Yarkony, DR & Zhang, Z 2020, 'The generality of the GUGA MRCI approach in COLUMBUS for treating complex quantum chemistry', Journal of Chemical Physics, pp. 134110.

TY - JOUR

T1 - The generality of the GUGA MRCI approach in COLUMBUS for treating complex quantum chemistry

AU - Lischka, Hans

AU - Shepard, Ron

AU - Mueller, Thomas

AU - Szalay, Peter G.

AU - Pitzer, Russell M.

AU - Barbatti, Mario

AU - Belcher, Lachlan T.

AU - Blaudeau, Jean-Philippe

AU - Borges, Itamer

AU - Brozell, Scott R.

AU - Carter, Emily A.

AU - Das, Anita

AU - Gidofalvi, Gergely

AU - Gonzalez, Leticia

AU - Hase, William

AU - Kedziora, Gary

AU - Kertesz, Miklos

AU - Kossoski, Fabris

AU - Matsika, Spiridoula

AU - Nachtigallova, Dana

AU - Nieman, Reed

AU - Oppel, Markus

AU - Parish, Carol A.

AU - Plasser, Felix

AU - Stahlberg, Eric A.

AU - Ventura, Elizete

AU - Yarkony, David R.

AU - Zhang, Zhiyong

PY - 2020

Y1 - 2020

M3 - Article

SP - 134110

JO - The Journal of Chemical Physics

JF - The Journal of Chemical Physics

SN - 0021-9606

ER -

The generality of the GUGA MRCI approach in COLUMBUS for treating complex quantum chemistry

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