Articles citing this article

The Citing articles tool gives a list of articles citing the current article.
The citing articles come from EDP Sciences database, as well as other publishers participating in CrossRef Cited-by Linking Program. You can set up your personal account to receive an email alert each time this article is cited by a new article (see the menu on the right-hand side of the abstract page).

Cited article:

Strategies for rational design and applications of transition metal clusters

Swayam Prabha Misra, Alok Ranjan, Raghav Shrimali and Parag A. Deshpande
Chemical Physics Reviews 5 (3) (2024)
https://doi.org/10.1063/5.0204606

Vanishing-Overhead Linear-Scaling Random Phase Approximation by Cholesky Decomposition and an Attenuated Coulomb-Metric

Arne Luenser, Henry F. Schurkus and Christian Ochsenfeld
Journal of Chemical Theory and Computation 13 (4) 1647 (2017)
https://doi.org/10.1021/acs.jctc.6b01235

Communication: An effective linear-scaling atomic-orbital reformulation of the random-phase approximation using a contracted double-Laplace transformation

Henry F. Schurkus and Christian Ochsenfeld
The Journal of Chemical Physics 144 (3) (2016)
https://doi.org/10.1063/1.4939841

The limitations of Slater’s element-dependent exchange functional from analytic density-functional theory

Rajendra R. Zope and Brett I. Dunlap
The Journal of Chemical Physics 124 (4) (2006)
https://doi.org/10.1063/1.2161176

Model density approach to the Kohn–Sham problem: Efficient extension of the density fitting technique

Uwe Birkenheuer, Aleksei B. Gordienko, Vladimir A. Nasluzov, Monika K. Fuchs‐Rohr and Notker Rösch
International Journal of Quantum Chemistry 102 (5) 743 (2005)
https://doi.org/10.1002/qua.20447

Slater's Exchange Parameters α for Analytic and Variational Xα Calculations

Rajendra R. Zope and Brett I. Dunlap
Journal of Chemical Theory and Computation 1 (6) 1193 (2005)
https://doi.org/10.1021/ct050166w

Analytic and Variational Xα in the Slater−Roothaan Method

Brett I. Dunlap
The Journal of Physical Chemistry A 107 (47) 10082 (2003)
https://doi.org/10.1021/jp0221789

Linear Scaling Density Functional Calculations with Gaussian Orbitals

Gustavo E. Scuseria
The Journal of Physical Chemistry A 103 (25) 4782 (1999)
https://doi.org/10.1021/jp990629s

Development of a restricted open shell Kohn–Sham program and its application to a model heme complex

Isao Okazaki, Fumitoshi Sato, Tamotsu Yoshihiro, Tetsuya Ueno and Hiroshi Kashiwagi
Journal of Molecular Structure: THEOCHEM 451 (1-2) 109 (1998)
https://doi.org/10.1016/S0166-1280(98)00164-X

A new grid-free density-functional technique: Application to the torsional energy surfaces of ethane, hydrazine, and hydrogen peroxide

Katrina S. Werpetinski and Michael Cook
The Journal of Chemical Physics 106 (17) 7124 (1997)
https://doi.org/10.1063/1.473734

A grid-free DFT implementation of non-local functionals and analytical energy derivatives

Yu Cheng Zheng and Jan E. Almlöf
Journal of Molecular Structure: THEOCHEM 388 277 (1996)
https://doi.org/10.1016/S0166-1280(96)80040-6

Fractional occupation numbers and density functional energy gradients within the linear combination of Gaussian-type orbitals approach

R.W. Warren and B.I. Dunlap
Chemical Physics Letters 262 (3-4) 384 (1996)
https://doi.org/10.1016/0009-2614(96)01107-4

Recent Developments and Applications of Modern Density Functional Theory

N. Rösch, S. Krüger, M. Mayer and V.A. Nasluzov
Theoretical and Computational Chemistry, Recent Developments and Applications of Modern Density Functional Theory 4 497 (1996)
https://doi.org/10.1016/S1380-7323(96)80096-3

Magnetic properties of Ni and Fe clusters: a tight binding molecular dynamics study

Antonis N. Andriotis, Nectarios Lathiotakis and Madhu Menon
Chemical Physics Letters 260 (1-2) 15 (1996)
https://doi.org/10.1016/0009-2614(96)00850-0

Density functional based structure optimization for molecules containing heavy elements: analytical energy gradients for the Douglas-Kroll-Hess scalar relativistic approach to the LCGTO-DF method

Vladimir A. Nasluzov and Notker Rösch
Chemical Physics 210 (3) 413 (1996)
https://doi.org/10.1016/0301-0104(96)00137-1

An algorithm for 3D numerical integration that scales linearly with the size of the molecule

JoséM. Pérez-Jorda and Weitao Yang
Chemical Physics Letters 241 (4) 469 (1995)
https://doi.org/10.1016/0009-2614(95)00665-Q

Modern Density Functional Theory - A Tool for Chemistry

Brett I. Dunlap
Theoretical and Computational Chemistry, Modern Density Functional Theory - A Tool for Chemistry 2 151 (1995)
https://doi.org/10.1016/S1380-7323(05)80035-4

Modeling of supported metal clusters: a density functional study of CO chemisorption on Ni clusters deposited on alumina

Gianfranco Pacchioni and Notker Rösch
Surface Science 306 (1-2) 169 (1994)
https://doi.org/10.1016/0039-6028(94)91195-9

On the evolution of cluster to bulk properties: a theoretical LCGTO-LDF study of free and coordinated Nin clusters (n=6-147)

Gianfranco Pacchioni, Sai-Cheong Chung, Sven Krüger and Notker Rösch
Chemical Physics 184 (1-3) 125 (1994)
https://doi.org/10.1016/0301-0104(94)00104-9

On the coadsorption of CO and alkali atoms at transition metal surfaces: A LCGTO-LDF cluster study

A. Görling, L. Ackermann, J. Lauber, P. Knappe and N. Rösch
Surface Science 286 (1-2) 26 (1993)
https://doi.org/10.1016/0039-6028(93)90553-V

Electronic structure and properties of nickel clusters: Ni6, Ni8, Ni19, and Ni44

Notker Rösch, Lutz Ackermann and Gianfranco Pacchioni
Chemical Physics Letters 199 (3-4) 275 (1992)
https://doi.org/10.1016/0009-2614(92)80118-U

Electronic and magnetic properties of organometallic clusters: From the molecular to the metallic state

Lutz Ackermann, Notker R�sch, Brett I. Dunlap and Gianfranco Pacchioni
International Journal of Quantum Chemistry 44 (S26) 605 (1992)
https://doi.org/10.1002/qua.560440854

Quantum Chemistry Approaches to Chemisorption and Heterogeneous Catalysis

Eugene S. Kryachko, E. V. Ludeña and Vladimiro Mujica
Quantum Chemistry Approaches to Chemisorption and Heterogeneous Catalysis 105 (1992)
https://doi.org/10.1007/978-94-017-2825-6_4

CO bonding and vibrational modes on a perfect MgO(001) surface: LCGTO-LDF model cluster investigation

Konstantin M. Neyman and Notker Rösch
Chemical Physics 168 (2-3) 267 (1992)
https://doi.org/10.1016/0301-0104(92)87161-2

Quantum Chemistry Approaches to Chemisorption and Heterogeneous Catalysis

Fernando Ruette, Anibal Sierraalta and Antonio Hernandez
Quantum Chemistry Approaches to Chemisorption and Heterogeneous Catalysis 253 (1992)
https://doi.org/10.1007/978-94-017-2825-6_9

Second derivatives of the local-density-functional total energy when the local potential is fitted

B. I. Dunlap and J. Andzelm
Physical Review A 45 (1) 81 (1992)
https://doi.org/10.1103/PhysRevA.45.81

Density functional Gaussian-type-orbital approach to molecular geometries, vibrations, and reaction energies

J. Andzelm and E. Wimmer
The Journal of Chemical Physics 96 (2) 1280 (1992)
https://doi.org/10.1063/1.462165

Paramagnetism of high nuclearity metal cluster compounds as derived from local density functional calculations

Notker Rösch, Lutz Ackermann, Gianfranco Pacchioni and Brett I. Dunlap
The Journal of Chemical Physics 95 (9) 7004 (1991)
https://doi.org/10.1063/1.461045

Molecular photo cross sections with the LCGTO–Xα method using Stieltjes imaging

A. Görling and N. Rösch
The Journal of Chemical Physics 93 (8) 5563 (1990)
https://doi.org/10.1063/1.459626

Relativistic linear combination of Gaussian-type orbitals density functional method based on a two-component formalism with external field projectors

Peter Knappe and Notker Rösch
The Journal of Chemical Physics 92 (2) 1153 (1990)
https://doi.org/10.1063/1.458177

Local-density-functional total energy gradients in the linear combination of Gaussian-type orbitals method

B. I. Dunlap, J. Andzelm and J. W. Mintmire
Physical Review A 42 (11) 6354 (1990)
https://doi.org/10.1103/PhysRevA.42.6354

Linear combination of Gaussian-type orbitals–local-density-functional cluster studies of D-D interactions in titanium and palladium

B. I. Dunlap, D. W. Brenner, R. C. Mowrey, J. W. Mintmire and C. T. White
Physical Review B 41 (14) 9683 (1990)
https://doi.org/10.1103/PhysRevB.41.9683

Geometry optimization of molecules within anLCGTO local-density functional approach

J. W. Mintmire
International Journal of Quantum Chemistry 38 (S24) 851 (1990)
https://doi.org/10.1002/qua.560382483

Calculation of equilibrium geometries and harmonic frequencies by theLCGTO-MCP-local spin density method

Imre Papai, Alain St-Amant, Jiro Ushio and Dennis Salahub
International Journal of Quantum Chemistry 38 (S24) 29 (1990)
https://doi.org/10.1002/qua.560382407