Conjugate-gradient optimization method for orbital-free density functional calculations

Hong Jiang; Weitao Yang

doi:10.1063/1.1768163

Conjugate-gradient optimization method for orbital-free density functional calculations

The Journal of Chemical Physics ◽

10.1063/1.1768163 ◽

2004 ◽

Vol 121 (5) ◽

pp. 2030-2036 ◽

Cited By ~ 23

Author(s):

Hong Jiang ◽

Weitao Yang

Keyword(s):

Conjugate Gradient ◽

Density Functional Calculations ◽

Density Functional ◽

Optimization Method ◽

Gradient Optimization ◽

Orbital Free ◽

Conjugate Gradient Optimization

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A conjugate-gradient optimization method invariant to nonlinear scaling

Journal of Optimization Theory and Applications ◽

10.1007/bf00933228 ◽

1979 ◽

Vol 27 (2) ◽

pp. 221-230 ◽

Cited By ~ 16

Author(s):

W. R. Boland ◽

E. R. Kamgnia ◽

J. S. Kowalik

Keyword(s):

Conjugate Gradient ◽

Optimization Method ◽

Gradient Optimization ◽

Conjugate Gradient Optimization

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An exponential function as a model for a conjugate gradient optimization method

Journal of Mathematical Analysis and Applications ◽

10.1016/0022-247x(79)90037-4 ◽

1979 ◽

Vol 67 (2) ◽

pp. 476-482 ◽

Cited By ~ 4

Author(s):

J.S Kowalik ◽

E.R Kamgnia ◽

W.R Boland

Keyword(s):

Exponential Function ◽

Conjugate Gradient ◽

Optimization Method ◽

Gradient Optimization ◽

Conjugate Gradient Optimization

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A Rational Triangle Function as a Model for a Conjugate Gradient Optimization Method.

AL-Rafidain Journal of Computer Sciences and Mathematics ◽

10.33899/csmj.2006.164034 ◽

2006 ◽

Vol 3 (1) ◽

pp. 43-54

Author(s):

Abbas Al-Bayati ◽

Basim Hassan

Keyword(s):

Conjugate Gradient ◽

Optimization Method ◽

Triangle Function ◽

Gradient Optimization ◽

Conjugate Gradient Optimization

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Kinetic energy density for orbital-free density functional calculations by axiomatic approach

International Journal of Quantum Chemistry ◽

10.1002/qua.25373 ◽

2017 ◽

Vol 117 (12) ◽

pp. e25373 ◽

Cited By ~ 4

Author(s):

Fahhad H. Alharbi ◽

Sabre Kais

Keyword(s):

Energy Density ◽

Kinetic Energy ◽

Density Functional Calculations ◽

Density Functional ◽

Axiomatic Approach ◽

Kinetic Energy Density ◽

Orbital Free

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Order- N orbital-free density-functional calculations with machine learning of functional derivatives for semiconductors and metals

Physical Review Research ◽

10.1103/physrevresearch.3.033198 ◽

2021 ◽

Vol 3 (3) ◽

Author(s):

Fumihiro Imoto ◽

Masatoshi Imada ◽

Atsushi Oshiyama

Keyword(s):

Machine Learning ◽

Density Functional Calculations ◽

Density Functional ◽

Functional Derivatives ◽

Orbital Free

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Parallel preconditioned conjugate gradient optimization of the Rayleigh quotient for the solution of sparse eigenproblems

Applied Mathematics and Computation ◽

10.1016/j.amc.2005.09.015 ◽

2006 ◽

Vol 175 (2) ◽

pp. 1694-1715 ◽

Cited By ~ 8

Author(s):

Luca Bergamaschi ◽

Ángeles Martínez ◽

Giorgio Pini

Keyword(s):

Conjugate Gradient ◽

Rayleigh Quotient ◽

Preconditioned Conjugate Gradient ◽

Gradient Optimization ◽

Conjugate Gradient Optimization

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A translation/rotation invariant neural network trained via conjugate gradient optimization

IEEE International Conference on Systems Engineering ◽

10.1109/icsyse.1989.48644 ◽

1989 ◽

Cited By ~ 1

Author(s):

Reed ◽

Helferty

Keyword(s):

Neural Network ◽

Conjugate Gradient ◽

Rotation Invariant ◽

Gradient Optimization ◽

Conjugate Gradient Optimization

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APPLICATION OF THE CONJUGATE GRADIENT OPTIMIZATION ALGORITHM OF NEURAL NETWORK ON LASER MACHINING

Journal of Mechanical Engineering ◽

10.3901/jme.2002.11.143 ◽

2002 ◽

Vol 38 (11) ◽

pp. 143 ◽

Cited By ~ 3

Author(s):

Xianglin Hou

Keyword(s):

Neural Network ◽

Optimization Algorithm ◽

Conjugate Gradient ◽

Laser Machining ◽

Gradient Optimization ◽

Conjugate Gradient Optimization

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Conjugate gradient optimization applied to a copper converter model

Automatica ◽

10.1016/0005-1098(69)90093-4 ◽

1969 ◽

Vol 5 (6) ◽

pp. 801-810 ◽

Cited By ~ 3

Author(s):

L.K. Nenonen ◽

B. Pagurek

Keyword(s):

Conjugate Gradient ◽

Copper Converter ◽

Gradient Optimization ◽

Conjugate Gradient Optimization

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Hybrid Particle Swarm and Conjugate Gradient Optimization Algorithm

Lecture Notes in Computer Science - Advances in Swarm Intelligence ◽

10.1007/978-3-642-13495-1_71 ◽

2010 ◽

pp. 582-588 ◽

Cited By ~ 4

Author(s):

Abdallah Qteish ◽

Mohammad Hamdan

Keyword(s):

Optimization Algorithm ◽

Conjugate Gradient ◽

Particle Swarm ◽

Hybrid Particle ◽

Gradient Optimization ◽

Conjugate Gradient Optimization

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