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Piotr Rozyczko
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ICET–a Python library for constructing and sampling alloy cluster expansions
M Ångqvist, WA Muñoz, JM Rahm, E Fransson, C Durniak, P Rozyczko, ...
Advanced Theory and Simulations 2 (7), 1900015, 2019
1312019
ACES II is a program product of the Quantum Theory Project, University of Florida. Integral packages included are VMOL (J. Almlöf and PR Taylor); VPROPS (P. Taylor)
JF Stanton, J Gauss, JD Watts, M Nooijen, N Oliphant, SA Perera, ...
ABACUS (T. Helgaker, HJ Aa. Jensen, P. Jørgensen, J. Olsen and PR Taylor), 2005
121*2005
ACES II, a program product of the Quantum Theory Project
JF Stanton, J Gauss, JD Watts, M Nooijen, N Oliphant, SA Perera, ...
University of Florida, 1992
961992
Integral packages included are VMOL (Almlöf, J.; Taylor, PR)
J Gauss, JD Watts, M Nooijen, N Oliphant, SA Perera, PG Szalay, ...
Vprops (Taylor, PR), 0
65
Correlated calculations of molecular dynamic polarizabilities
PB Rozyczko, SA Perera, M Nooijen, RJ Bartlett
The Journal of chemical physics 107 (17), 6736-6747, 1997
641997
Frequency dependent equation-of-motion coupled cluster hyperpolarizabilities: Resolution of the discrepancy between theory and experiment for HF?
P Rozyczko, RJ Bartlett
The Journal of chemical physics 107 (24), 10823-10826, 1997
411997
ACES II, a program product of the Quantum Theory Project; University of Florida, Gainesville, FL
JF Stanton, J Gauss, JD Watts, M Nooijen, N Oliphant, SA Perera, ...
Google Scholar There is no corresponding record for this reference, 0
29
Amino-acid adsorption in MFI-type zeolites enabled by the pH-dependent ability to displace water
K Stückenschneider, J Merz, F Hanke, P Rozyczko, V Milman, ...
The Journal of Physical Chemistry C 117 (37), 18927-18935, 2013
242013
Does N2− exist? A coupled-cluster study
GL Gutsev, PB Rozyczko, RJ Bartlett, CA Weatherford
The Journal of chemical physics 110 (11), 5137-5139, 1999
181999
Integral packages included are VMOL (J. Almlöf and PR Taylor); VPROPS (P. Taylor) ABACUS;(T. Helgaker, HJ Aa. Jensen, P. Jörgensen, J. Olsen, and PR Taylor): ACES II
JF Stanton, J Gauss, JD Watts, M Nooijen, N Oliphant, SA Perera, ...
Quantum Theory Project, Gainesville, Florida, 2007
17*2007
The hyperpolarizability of trans-butadiene rerevisited
PB Rozyczko, RJ Bartlett
The Journal of chemical physics 108 (19), 7988-7993, 1998
171998
ACES II is a product of the Quantum Theory Project, University of Florida
JF Stanton, J Gauss, SA Perera, A Yau, JD Watts, M Nooijen, N Oliphant, ...
Integral Packages Included are VMOL (J. Almlöf and PR Taylor), VPROPS (PR …, 2009
142009
ACESII is a product of the quantum theory project
JF Stanton, J Gauss, SA Perera, A Yau, JD Watts, M Nooijen, N Oliphant, ...
University of Florida, Integral packages included are VMOL (J. Almölf and PR …, 2005
112005
ACES II; University of Florida: Gainesville, Fl
JF Stanton, J Gauss, JD Watts, M Nooijen, N Oliphant, SA Perera, ...
Google Scholar There is no corresponding record for this reference, 0
11
Integral packages included are VMOL (J. Alml öf, PR Taylor), VPROPS (PR Taylor)
JF Stanton, J Gauss, JD Watts, M Nooijen, N Oliphant, SA Perera, ...
ABACUS (T. Helgaker, HJ Aa. Jensen, P. Jørgensen, J. Olsen, and PR Taylor), 2007
102007
Integral packages included are VMOL (J. Almlöf and PR Taylor)
JF Stanton, J Gauss, JD Watts, M Nooijen, N Oliphant, SA Perera, ...
VPROPS (P. Taylor) ABACUS, 0
10
Response to “Comment on ‘Frequency-dependent equation-of-motion coupled cluster hyperpolarizabilities: Resolution of the discrepancy between theory and experiment for HF?’”[J …
PB Rozyczko, RJ Bartlett
The Journal of Chemical Physics 109 (20), 9201-9203, 1998
71998
Google Scholar There is no corresponding record for this reference
J Gauss, JD Watts, M Nooijen, N Oliphant, SA Perera, PG Szalay, ...
Integral packages included are VMOL (Almlöf, J, 1986
71986
SasView version 5.0. 4, 2021
M Doucet, JH Cho, G Alina, Z Attala, J Bakker, W Bouwman, P Butler, ...
Google Scholar There is no corresponding record for this reference, 0
7
Guidelines for collaborative development of sustainable data treatment software
J Wuttke, S Cottrell, MA Gonzalez, A Kaestner, A Markvardsen, TH Rod, ...
Journal of Neutron Research 24 (1), 33-72, 2022
62022
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