Michael J. Frisch - researchr alias

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Viewing Publication 1 - 14 from 14

2021

2020

Double hybrids and time-dependent density functional theory: An implementation and benchmark on charge transfer excited statesAlistar Ottochian, Carmela Morgillo, Ilaria Ciofini, Michael J. Frisch, Giovanni Scalmani, Carlo Adamo. jcc, 41(13):1242-1251, 2020. [doi]

2018

How are the charge transfer descriptors affected by the quality of the underpinning electronic density?Federica Maschietto, Marco Campetella, Michael J. Frisch, Giovanni Scalmani, Carlo Adamo, Ilaria Ciofini. jcc, 39(12):735-742, 2018. [doi]

2016

Modeling emission features of salicylidene aniline molecular crystals: A QM/QM' approachDavide Presti, Frédéric Labat, Alfonso Pedone, Michael J. Frisch, Hrant P. Hratchian, Ilaria Ciofini, Maria Cristina Menziani, Carlo Adamo. jcc, 37(9):861-870, 2016. [doi]

2011

Modelling the Runtime of the Gaussian Computational Chemistry Application and Assessing the Impacts of Microarchitectural VariationsJoseph Antony, Alistair P. Rendell, Rui Yang, Gary Trucks, Michael J. Frisch. procedia, 4:281-291, 2011. [doi]

2009

Scalability of Gaussian 03 on SGI Altix: The Importance of Data Locality on CC-NUMA ArchitectureRoberto Gomperts, Michael J. Frisch, Jean-Pierre Panziera. iwomp 2009: 93-103 [doi]

2007

On the Use of Incomplete LU Decomposition as a Preconditioning Technique for Density Fitting in Electronic Structure ComputationsRui Yang, Alistair P. Rendell, Michael J. Frisch. iccsa 2007: 265-280 [doi]

2003

Geometry optimization with QM/MM, ONIOM, and other combined methods. I. Microiterations and constraintsThom Vreven, Keiji Morokuma, Ödön Farkas, H. Bernhard Schlegel, Michael J. Frisch. jcc, 24(6):760-769, 2003. [doi]

2000

Ab initio quantum chemistry on a ccNUMA architecture using openMP IIIC. P. Sosa, G. Scalmani, Roberto Gomperts, Michael J. Frisch. pc, 26(7-8):843-856, 2000.

1998

Ab initio quantum chemistry on the Cray T3E massively parallel supercomputer: IIC. P. Sosa, J. Ochterski, J. Carpenter, Michael J. Frisch. jcc, 19(9):1053-1063, 1998. [doi]

1996

Using redundant internal coordinates to optimize equilibrium geometries and transition statesChunyang Peng, Philippe Y. Ayala, H. Bernhard Schlegel, Michael J. Frisch. jcc, 17(1):49-56, 1996. [doi]

1995

Ab Initio Calculation of Molar Volumes: Compariso with Experiment and Use in Solvation ModelsMing Wah Wong, Kenneth B. Wiberg, Michael J. Frisch. jcc, 16(3):365-394, 1995.

1972

Remarks on Characteristic Values and Associated Solutions of Mathieus Differential Equation, Exponential Integral, and Systems of Hyperbolic P.D.E. (Remark on Algorithms 352, 385, 392)Michael J. Frisch. CACM, 15(12):1074, 1972.

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