Henry F. Schaefer

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All published works

Action	Title	Year	Authors
+	Linear-Scaling Quadruple Excitations in Local Pair Natural Orbital Coupled-Cluster Theory	2025	Andy Jiang Henry F. Schaefer Justin M. Turney
+	Linear-Scaling Local Natural Orbital-based Full Triples Treatment in Coupled-Cluster Theory	2024	Andy Jiang Henry F. Schaefer Justin M. Turney
+	Tensor Hypercontraction Form of the Perturbative Triples Energy in Coupled-Cluster Theory	2023	Andy Jiang Justin M. Turney Henry F. Schaefer
+	Tensor Hypercontraction Form of the Perturbative Triples Energy in Coupled-Cluster Theory	2022	Andy Jiang Justin M. Turney Henry F. Schaefer
+ PDF Chat	Cumulants as the variables of density cumulant theory: A path to Hermitian triples	2021	Jonathon P. Misiewicz Justin M. Turney Henry F. Schaefer
+ PDF Chat	Assessing the orbital-optimized unitary <i>Ansatz</i> for density cumulant theory	2020	Jonathon P. Misiewicz Justin M. Turney Henry F. Schaefer Alexander Yu. Sokolov
+ PDF Chat	Coupled Cluster Externally Corrected by Adaptive Configuration Interaction	2020	Gustavo J. R. Aroeira Madeline M. Davis Justin M. Turney Henry F. Schaefer
+	Reduced Density Matrix Cumulants: The Combinatorics of Size-Consistency and Generalized Normal Ordering	2020	Jonathon P. Misiewicz Justin M. Turney Henry F. Schaefer
+	Reduced Density Matrix Cumulants: The Combinatorics of Size-Consistency and Generalized Normal Ordering	2020	Jonathon P. Misiewicz Justin M. Turney Henry F. Schaefer
+	Coupled Cluster Externally Corrected by Adaptive Configuration Interaction	2020	Gustavo J. R. Aroeira Madeline M. Davis Justin M. Turney Henry F. Schaefer
+	Quantification of Aromaticity of Heterocyclic Systems Using Interaction Coordinates	2018	Soumyadeb Dey Dhivya Manogaran S. Manogaran Henry F. Schaefer
+	Quantification of Aromaticity Based on Interaction Coordinates: A New Proposal	2016	Sarvesh Kumar Pandey Dhivya Manogaran S. Manogaran Henry F. Schaefer
+ PDF Chat	A tight distance-dependent estimator for screening three-center Coulomb integrals over Gaussian basis functions	2015	David S Hollman Henry F. Schaefer Edward F. Valeev
+	Fast construction of the exchange operator in an atom-centered basis with concentric atomic density fitting	2014	David S Hollman Henry F. Schaefer Edward F. Valeev
+	Saddle point geometry and barrier height for H + F2 → HF + F	1974	Charles F. Bender Charles W. Bauschlicher Henry F. Schaefer

Common Coauthors

Coauthor	Papers Together
Justin M. Turney	10
Jonathon P. Misiewicz	4
Andy Jiang	4
Dhivya Manogaran	2
Edward F. Valeev	2
S. Manogaran	2
Gustavo J. R. Aroeira	2
Madeline M. Davis	2
David S Hollman	2
Charles W. Bauschlicher	1
Sarvesh Kumar Pandey	1
Soumyadeb Dey	1
Charles F. Bender	1
Alexander Yu. Sokolov	1

Commonly Cited References

Action	Title	Year	Authors	# of times referenced
+ PDF Chat	Simulating X-ray Absorption Spectra with Linear-Response Density Cumulant Theory	2019	Ruojing Peng Andreas V. Copan Alexander Yu. Sokolov	3
+	Multicomponent Orbital-Optimized Perturbation Theory Methods: Approaching Coupled Cluster Accuracy at Lower Cost	2020	Fabijan Pavošević Benjamin J. G. Rousseau Sharon Hammes‐Schiffer	2
+ PDF Chat	Communication: Tensor hypercontraction. III. Least-squares tensor hypercontraction for the determination of correlated wavefunctions	2012	Edward G. Hohenstein Robert M. Parrish C. David Sherrill Todd J. Martı́nez	2
+	Reduced Density Matrix Cumulants: The Combinatorics of Size-Consistency and Generalized Normal Ordering	2020	Jonathon P. Misiewicz Justin M. Turney Henry F. Schaefer	2
+	What is… aromaticity: a critique of the concept of aromaticity—can it really be defined?	2009	Amnon Stanger	2
+	Tensor Decompositions and Applications	2009	Tamara G. Kolda Brett W. Bader	2
+ PDF Chat	Cluster decomposition of full configuration interaction wave functions: A tool for chemical interpretation of systems with strong correlation	2017	Susi Lehtola Norm M. Tubman K. Birgitta Whaley Martin Head‐Gordon	2
+	Tensor hypercontraction density fitting. I. Quartic scaling second- and third-order Møller-Plesset perturbation theory	2012	Edward G. Hohenstein Robert M. Parrish Todd J. Martı́nez	2
+ PDF Chat	W4 theory for computational thermochemistry: In pursuit of confident sub-kJ/mol predictions	2006	Amir Karton É. M. Rabinovich Jan M. L. Martin Branko Ruščić	2
+	To What Extent Can Aromaticity Be Defined Uniquely?	2002	Michał K. Cyrański Tadeusz M. Krygowski Alan R. Katritzky Paul von Ragué Schleyer	2
+	On the performance of some aromaticity indices: A critical assessment using a test set	2008	Ferran Feixas Eduard Matito Jordi Poater Miquel Solà	2
+ PDF Chat	Communication: Relating the pure and ensemble density matrix functional	2018	Christian Schilling	2
+	Rank-reduced coupled-cluster. III. Tensor hypercontraction of the doubles amplitudes	2022	Edward G. Hohenstein B. Scott Fales Robert M. Parrish Todd J. Martı́nez	2
+ PDF Chat	Quintic-scaling rank-reduced coupled cluster theory with single and double excitations	2022	Michał Lesiuk	2
+ PDF Chat	Quantum marginal problem and N-representability	2006	Alexander A. Klyachko	2
+ PDF Chat	Linear-Response Density Cumulant Theory for Excited Electronic States	2018	Andreas V. Copan Alexander Yu. Sokolov	2
+ PDF Chat	Implementation of the Coupled-Cluster Method with Single, Double, and Triple Excitations using Tensor Decompositions	2019	Michał Lesiuk	2
+	Tensor hypercontraction. II. Least-squares renormalization	2012	Robert M. Parrish Edward G. Hohenstein Todd J. Martı́nez C. David Sherrill	2
+ PDF Chat	Finding Structure with Randomness: Probabilistic Algorithms for Constructing Approximate Matrix Decompositions	2011	Nathan Halko Per‐Gunnar Martinsson Joel A. Tropp	2
+ PDF Chat	Coupled Cluster Method with Single and Double Excitations Tailored by Matrix Product State Wave Functions	2016	Libor Veis Andrej Antalík Jiří Brabec Frank Neese Örs Legeza Jiřı́ Pittner	1
+	Notes on Counting: An Introduction to Enumerative Combinatorics	2017	Peter J‎. Cameron	1
+ PDF Chat	Regularized Orbital-Optimized Second-Order Møller–Plesset Perturbation Theory: A Reliable Fifth-Order-Scaling Electron Correlation Model with Orbital Energy Dependent Regularizers	2018	Joonho Lee Martin Head‐Gordon	1
+ PDF Chat	Toward the efficient local tailored coupled cluster approximation and the peculiar case of oxo-Mn(Salen)	2019	Andrej Antalík Libor Veis Jiří Brabec Ondřej Demel Örs Legeza Jiřı́ Pittner	1
+	Numerical and Theoretical Aspects of the DMRG-TCC Method Exemplified by the Nitrogen Dimer	2019	Fabian M. Faulstich Mihály Máté Andre Laestadius Mihály A. Csirik Libor Veis Andrej Antalík Jiří Brabec Reinhold Schneider Jiřı́ Pittner Simen Kvaal	1
+ PDF Chat	Improving the Efficiency of the Multireference Driven Similarity Renormalization Group via Sequential Transformation, Density Fitting, and the Noninteracting Virtual Orbital Approximation	2019	Tianyuan Zhang Chenyang Li Francesco A. Evangelista	1
+ PDF Chat	Ab initio Potential Energy Curve for the Ground State of Beryllium Dimer	2019	Michał Lesiuk Michał Przybytek Justyna G. Balcerzak Monika Musiał Robert Moszyński	1
+ PDF Chat	Orbital optimized unitary coupled cluster theory for quantum computer	2020	Wataru Mizukami Kosuke Mitarai Yuya O. Nakagawa Takahiro Yamamoto Tennin Yan Yu‐ya Ohnishi	1
+	Exact parameterization of fermionic wave functions via unitary coupled cluster theory	2019	Francesco A. Evangelista Garnet Kin‐Lic Chan Gustavo E. Scuseria	1
+ PDF Chat	Connected three-body terms in single-reference unitary many-body theories: Iterative and perturbative approximations	2020	Chenyang Li Francesco A. Evangelista	1
+ PDF Chat	Assessing the orbital-optimized unitary <i>Ansatz</i> for density cumulant theory	2020	Jonathon P. Misiewicz Justin M. Turney Henry F. Schaefer Alexander Yu. Sokolov	1
+ PDF Chat	Capturing static and dynamic correlation with ΔNO-MP2 and ΔNO-CCSD	2020	Joshua W. Hollett Pierre‐François Loos	1
+ PDF Chat	Array programming with NumPy	2020	C. R. Harris K. Jarrod Millman Stéfan van der Walt Ralf Gommers Pauli Virtanen David Cournapeau Eric Wieser Julian Taylor Sebastian Berg Nathaniel J. Smith	1
+ PDF Chat	Multi-reference algebraic diagrammatic construction theory for excited states: General formulation and first-order implementation	2018	Alexander Yu. Sokolov	1
+ PDF Chat	Quantum orbital-optimized unitary coupled cluster methods in the strongly correlated regime: Can quantum algorithms outperform their classical equivalents?	2020	Igor O. Sokolov Panagiotis Kl. Barkoutsos Pauline J. Ollitrault Donny Greenberg Julia E. Rice Marco Pistoia Ivano Tavernelli	1
+ PDF Chat	Communication: An adaptive configuration interaction approach for strongly correlated electrons with tunable accuracy	2016	Jeffrey B. Schriber Francesco A. Evangelista	1
+ PDF Chat	The Pauli Principle Revisited	2008	Murat Altunbulak Alexander A. Klyachko	1
+	A Walk Through Combinatorics	2016	Miklós Bóna	1
+ PDF Chat	Quantum field theory and Hopf algebra cohomology	2004	Christian Brouder Bertfried Fauser Alessandra Frabetti Robert Oeckl	1
+	Enumerative Combinatorics	2008		1
+	The statistical mechanics of lattice gases	1996	Jean Bricmont	1
+	An Introduction to the Moebius Function	2018	Chris Godsil	1
+	Cumulants, Extensivity, and the Connected Formulation of the Contracted Schrödinger Equation	2007	John M. Herbert John E. Harriman	1
+	Enumerative Combinatorics	1999	Richard P. Stanley Sergey Fomin	1
+	Aromaticity as a Quantitative Concept. 7. Aromaticity Reaffirmed as a Multidimensional Characteristic	1998	Alan R. Katritzky Mati Karelson Sulev Sild Tadeusz M. Krygowski Karl Jug	1
+	Practical graph isomorphism, II	2013	Brendan D. McKay Adolfo Piperno	1
+	Aromaticity indices revisited: refinement and application to certain five-membered ring heterocycles	2001	S. I. Kotelevskii Oleg V. Prezhdo	1
+ PDF Chat	Canonical transformation theory from extended normal ordering	2007	Takeshi Yanai Garnet Kin‐Lic Chan	1
+	Separation of the energetic and geometric contributions to the aromaticity. Part IV. A general model for the π-electron systems	1996	Tadeusz M. Krygowski Michał K. Cyrański	1
+	Aromaticity as a quantitative concept. 1. A statistical demonstration of the orthogonality of classical and magnetic aromaticity in five- and six-membered heterocycles	1989	Alan R. Katritzky P. Barczyński Giuseppe Musumarra Danila Pisano M. Szafran	1
+	Normal ordering and a Wick-like reduction theorem for fermions with respect to a multi-determinantal reference state	1997	Debashis Mukherjee	1