Analytic energy gradients for orbital-optimized MP3 and MP2.5 with the density-fitting approximation: An efficient implementation

Uğur Bozkaya

doi:10.1002/jcc.25122

Analytic energy gradients for orbital-optimized MP3 and MP2.5 with the density-fitting approximation: An efficient implementation

Journal of Computational Chemistry ◽

10.1002/jcc.25122 ◽

2017 ◽

Vol 39 (7) ◽

pp. 351-360 ◽

Cited By ~ 7

Author(s):

Uğur Bozkaya

Keyword(s):

Efficient Implementation ◽

Density Fitting

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Orbital-optimized linearized coupled-cluster doubles with density-fitting and Cholesky decomposition approximations: an efficient implementation

Physical Chemistry Chemical Physics ◽

10.1039/c6cp00164e ◽

2016 ◽

Vol 18 (16) ◽

pp. 11362-11373 ◽

Cited By ~ 16

Author(s):

Uğur Bozkaya

Keyword(s):

Cholesky Decomposition ◽

Efficient Implementation ◽

Coupled Cluster ◽

Density Fitting

An efficient implementation of the orbital-optimized linearized coupled-cluster double method with the density-fitting (DF-OLCCD) and Cholesky decomposition (CD-OLCCD) approximations is presented.

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Orbital-Optimized Second-Order Perturbation Theory with Density-Fitting and Cholesky Decomposition Approximations: An Efficient Implementation

Journal of Chemical Theory and Computation ◽

10.1021/ct500231c ◽

2014 ◽

Vol 10 (6) ◽

pp. 2371-2378 ◽

Cited By ~ 32

Author(s):

Uğur Bozkaya

Keyword(s):

Perturbation Theory ◽

Cholesky Decomposition ◽

Efficient Implementation ◽

Second Order ◽

Order Perturbation ◽

Order Perturbation Theory ◽

Density Fitting ◽

Second Order Perturbation Theory

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Analytic Energy Gradients and Spin Multiplicities for Orbital-Optimized Second-Order Perturbation Theory with Density-Fitting Approximation: An Efficient Implementation

Journal of Chemical Theory and Computation ◽

10.1021/ct500634s ◽

2014 ◽

Vol 10 (10) ◽

pp. 4389-4399 ◽

Cited By ~ 20

Author(s):

Uğur Bozkaya

Keyword(s):

Perturbation Theory ◽

Efficient Implementation ◽

Second Order ◽

Order Perturbation ◽

Order Perturbation Theory ◽

Density Fitting ◽

Second Order Perturbation Theory

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Energy and analytic gradients for the orbital-optimized coupled-cluster doubles method with the density-fitting approximation: An efficient implementation

The Journal of Chemical Physics ◽

10.1063/5.0035811 ◽

2020 ◽

Vol 153 (24) ◽

pp. 244115

Author(s):

Uğur Bozkaya ◽

Aslı Ünal ◽

Yavuz Alagöz

Keyword(s):

Efficient Implementation ◽

Coupled Cluster ◽

Density Fitting

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Efficient Implementation of the Second-Order Quasidegenerate Perturbation Theory with Density-Fitting and Cholesky Decomposition Approximations: Is It Possible To Use Hartree–Fock Orbitals for a Multiconfigurational Perturbation Theory?

Journal of Chemical Theory and Computation ◽

10.1021/acs.jctc.9b00378 ◽

2019 ◽

Vol 15 (8) ◽

pp. 4415-4429 ◽

Cited By ~ 5

Author(s):

Uğur Bozkaya

Keyword(s):

Perturbation Theory ◽

Cholesky Decomposition ◽

Efficient Implementation ◽

Second Order ◽

Hartree Fock ◽

Density Fitting

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Efficient implementation of Nth-band FIR filters based on a simple window method

IEE Proceedings G Circuits Devices and Systems ◽

10.1049/ip-g-2.1990.0046 ◽

1990 ◽

Vol 137 (4) ◽

pp. 302

Author(s):

V. Anastassopoulos ◽

T. Deliyannis

Keyword(s):

Efficient Implementation ◽

Fir Filters ◽

Window Method

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Efficient Implementation of Voiced/Unvoiced Sounds Classification Based on GMM for SMV Codec

IEICE Transactions on Fundamentals of Electronics Communications and Computer Sciences ◽

10.1587/transfun.e92.a.2120 ◽

2009 ◽

Vol E92-A (8) ◽

pp. 2120-2123

Author(s):

Ji-Hyun SONG ◽

Joon-Hyuk CHANG

Keyword(s):

Efficient Implementation

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Efficient implementation of Mechanic Animation using NPR technology

The Journal of Image and Cultural Contents ◽

10.24174/jicc.2018.10.15.55 ◽

2018 ◽

Vol 15 ◽

pp. 55-72

Author(s):

Miseon Kim ◽

Taegu Lee

Keyword(s):

Efficient Implementation

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A Deep Analysis and Efficient Implementation of Supervised Machine Learning Algorithms for Enhancing The Classification Ability of System

International Journal of Computer Sciences and Engineering ◽

10.26438/ijcse/v7i3.10941101 ◽

2019 ◽

Vol 7 (3) ◽

pp. 1094-1101

Author(s):

Sandeep Kumar Verma ◽

Turendar Sahu ◽

Manjit Jaiswal

Keyword(s):

Machine Learning ◽

Learning Algorithms ◽

Efficient Implementation ◽

Machine Learning Algorithms ◽

Supervised Machine Learning

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Power Efficient Implementation of Least Mean Square Algorithm Based FIR Filter Design Using FPGA

i-manager s Journal on Digital Signal Processing ◽

10.26634/jdp.2.1.2720 ◽

2014 ◽

Vol 2 (1) ◽

pp. 14-21

Author(s):

M. Devipriya ◽

◽

V. Saravanan ◽

N. Santhiyakumari ◽

◽

...

Keyword(s):

Filter Design ◽

Fir Filter ◽

Efficient Implementation ◽

Mean Square ◽

Least Mean Square ◽

Power Efficient ◽

Least Mean Square Algorithm ◽

Fir Filter Design

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