Academic literature on the topic 'Density functional analysis'
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Journal articles on the topic "Density functional analysis"
Das, M. P., and J. Mahanty. "Density-functional analysis of Wigner crystallization." Physical Review B 38, no. 8 (September 15, 1988): 5713–15. http://dx.doi.org/10.1103/physrevb.38.5713.
Full textLaird, Brian B., John D. McCoy, and A. D. J. Haymet. "Density functional theory of freezing: Analysis of crystal density." Journal of Chemical Physics 87, no. 9 (November 1987): 5449–56. http://dx.doi.org/10.1063/1.453663.
Full textVuckovic, Stefan, Suhwan Song, John Kozlowski, Eunji Sim, and Kieron Burke. "Density Functional Analysis: The Theory of Density-Corrected DFT." Journal of Chemical Theory and Computation 15, no. 12 (November 4, 2019): 6636–46. http://dx.doi.org/10.1021/acs.jctc.9b00826.
Full textSahni, Viraht, K. P. Bohnen, and Manoj K. Harbola. "Analysis of the local-density approximation of density-functional theory." Physical Review A 37, no. 6 (March 1, 1988): 1895–907. http://dx.doi.org/10.1103/physreva.37.1895.
Full textZupan, Ale?, John P. Perdew, Kieron Burke, and Mauro Caus�. "Density-gradient analysis for density functional theory: Application to atoms." International Journal of Quantum Chemistry 61, no. 5 (1997): 835–45. http://dx.doi.org/10.1002/(sici)1097-461x(1997)61:5<835::aid-qua9>3.0.co;2-x.
Full textYang, Weitao, and John E. Harriman. "Analysis of the kinetic energy functional in density functional theory." Journal of Chemical Physics 84, no. 6 (March 15, 1986): 3320–23. http://dx.doi.org/10.1063/1.450265.
Full textSchunck, Nicolas, Jordan D. McDonnell, Jason Sarich, Stefan M. Wild, and Dave Higdon. "Error analysis in nuclear density functional theory." Journal of Physics G: Nuclear and Particle Physics 42, no. 3 (February 5, 2015): 034024. http://dx.doi.org/10.1088/0954-3899/42/3/034024.
Full textFedorov, Dmitri G. "Partition Analysis for Density-Functional Tight-Binding." Journal of Physical Chemistry A 124, no. 49 (November 12, 2020): 10346–58. http://dx.doi.org/10.1021/acs.jpca.0c08204.
Full textCsonka, Gábor I., and Imre G. Csizmadia. "Density functional conformational analysis of 1,2-ethanediol." Chemical Physics Letters 243, no. 5-6 (September 1995): 419–28. http://dx.doi.org/10.1016/0009-2614(95)00846-v.
Full textJankowski, K., K. Nowakowski, I. Grabowski, and J. Wasilewski. "Coverage of dynamic correlation effects by density functional theory functionals: Density-based analysis for neon." Journal of Chemical Physics 130, no. 16 (April 28, 2009): 164102. http://dx.doi.org/10.1063/1.3116157.
Full textDissertations / Theses on the topic "Density functional analysis"
Wood, Christopher Alan. "Theoretical investigation of polar zinc oxide surface modification via phosphonic acid self-assembled monolayers." Thesis, Georgia Institute of Technology, 2012. http://hdl.handle.net/1853/43584.
Full textDiallo, Ibrahima Castillo. "Analysis of defects in GaN using Hybrid Density Functional Theory." VCU Scholars Compass, 2013. http://scholarscompass.vcu.edu/etd/3130.
Full textLi, Ben. "Müller Density-Matrix-Functional Theory: Existence of Solutions and their Properties." Thesis, Uppsala universitet, Analys och tillämpad matematik, 2013. http://urn.kb.se/resolve?urn=urn:nbn:se:uu:diva-190518.
Full textDemir, Sumeyra Ummuhan. "Image Processing Algorithms for Diagnostic Analysis of Microcirculation." VCU Scholars Compass, 2010. http://scholarscompass.vcu.edu/etd/137.
Full textPokhrel, Keshav Prasad. "Statistical Analysis and Modeling of Brain Tumor Data: Histology and Regional Effects." Scholar Commons, 2013. http://scholarcommons.usf.edu/etd/4746.
Full textHirayama, Hiroshi. "Purification and functional analysis of cholesterol transporter ABCG1 and ABCG4." Kyoto University, 2013. http://hdl.handle.net/2433/180522.
Full text0048
新制・課程博士
博士(農学)
甲第17905号
農博第2028号
新制||農||1018(附属図書館)
学位論文||H25||N4801(農学部図書室)
30725
京都大学大学院農学研究科応用生命科学専攻
(主査)教授 植田 和光, 教授 加納 健司, 教授 小川 順
学位規則第4条第1項該当
Brett, Constance M. "Investigation of the structure and bonding of metal complexes through the use of density functional theory." Connect to this title online, 2005. http://rave.ohiolink.edu/etdc/view?acc%5Fnum=osu1118688725.
Full textTitle from first page of PDF file. Document formatted into pages; contains xxxi, 309 p.; also includes graphics Includes bibliographical references. Available online via OhioLINK's ETD Center
Stasko, Anna K. "Functional Gene Analysis of Resistance QTL towards Phytophthora sojae on SoybeanChromosome 19." The Ohio State University, 2018. http://rave.ohiolink.edu/etdc/view?acc_num=osu1524139406566913.
Full textMeng, Xiangxiang. "Spectral Bayesian Network and Spectral Connectivity Analysis for Functional Magnetic Resonance Imaging Studies." University of Cincinnati / OhioLINK, 2011. http://rave.ohiolink.edu/etdc/view?acc_num=ucin1320681959.
Full textDiggs, Herman Augustus. "EFFECTS OF ACUTE THC ADMINISTRATION ON EXTINCTION OF CONDITIONED FEAR RESPONSES IN HUMANS: A FUNCTIONAL ANALYSIS OF HIGH DENSITY EEG." OpenSIUC, 2014. https://opensiuc.lib.siu.edu/dissertations/947.
Full textBooks on the topic "Density functional analysis"
Eschrig, H. The fundamentals of density functional theory. Stuttgart: Teubner, 1996.
Find full textTheoretical and computational developments in modern density functional theory. Hauppauge, N.Y: Nova Science Publishers, 2011.
Find full textSen, K. D. Statistical complexity: Applications in electronic structure. Dordrecht: Springer, 2011.
Find full textSahni, Viraht. Quantal Density Functional Theory. Berlin, Heidelberg: Springer Berlin Heidelberg, 2004.
Find full textPetkov, I. Zh. Nuclear density functional theory. Oxford: Clarendon Press, 1991.
Find full textLabanowski, Jan K. Density Functional Methods in Chemistry. New York, NY: Springer New York, 1991.
Find full textOn four approaches to density. Frankfurt am Main: Peter Lang, 2013.
Find full textM, Seminario J., ed. Recent developments and applications of modern density functional theory. Amsterdam: Elsevier, 1996.
Find full textApplications of density functional theory to chemical reactivity. Heidelberg: Springer, 2012.
Find full textGidopoulos, N. I. The Fundamentals of Electron Density, Density Matrix and Density Functional Theory in Atoms, Molecules and the Solid State. Dordrecht: Springer Netherlands, 2003.
Find full textBook chapters on the topic "Density functional analysis"
Cancès, Eric, Antoine Levitt, Yvon Maday, and Chao Yang. "Numerical Methods for Kohn–Sham Models: Discretization, Algorithms, and Error Analysis." In Density Functional Theory, 333–400. Cham: Springer International Publishing, 2022. http://dx.doi.org/10.1007/978-3-031-22340-2_7.
Full textDhar, Namrata, and Debnarayan Jana. "5. A DFT perspective analysis of optical properties of defected germanene mono-layer." In Density Functional Theory, edited by Ponnadurai Ramasami, 65–82. Berlin, Boston: De Gruyter, 2018. http://dx.doi.org/10.1515/9783110568196-005.
Full textJalkanen, K. J., S. Suhai, and H. Bohr. "Density Functional and Neural Network Analysis." In Theoretical and Computational Methods in Genome Research, 255–77. Boston, MA: Springer US, 1997. http://dx.doi.org/10.1007/978-1-4615-5903-0_19.
Full textBhat, Sooraj, Johannes Borgström, Andrew D. Gordon, and Claudio Russo. "Deriving Probability Density Functions from Probabilistic Functional Programs." In Tools and Algorithms for the Construction and Analysis of Systems, 508–22. Berlin, Heidelberg: Springer Berlin Heidelberg, 2013. http://dx.doi.org/10.1007/978-3-642-36742-7_35.
Full textBourgain, J. "A density condition for analyticity of the restriction algebra." In Geometrical Aspects of Functional Analysis, 151–56. Berlin, Heidelberg: Springer Berlin Heidelberg, 1987. http://dx.doi.org/10.1007/bfb0078142.
Full textGarcía-Valiente, Rodrigo, Jonatan Fernández-García, Javier Carabias-Sánchez, Alicia Landeira-Viñuela, Rafael Góngora, María Gonzalez-Gonzalez, and Manuel Fuentes. "A Systematic Analysis Workflow for High-Density Customized Protein Microarrays in Biomarker Screening." In Functional Proteomics, 107–22. New York, NY: Springer New York, 2018. http://dx.doi.org/10.1007/978-1-4939-8814-3_7.
Full textScimone, Riccardo, Alessandra Menafoglio, Laura M. Sangalli, and Piercesare Secchi. "The Death Process in Italy Before and During the Covid-19 Pandemic: A Functional Compositional Approach." In Studies in Classification, Data Analysis, and Knowledge Organization, 333–41. Cham: Springer International Publishing, 2023. http://dx.doi.org/10.1007/978-3-031-09034-9_36.
Full textHernández, Noslen, Rolando J. Biscay, Nathalie Villa-Vialaneix, and Isneri Talavera. "A Functional Density-Based Nonparametric Approach for Statistical Calibration." In Progress in Pattern Recognition, Image Analysis, Computer Vision, and Applications, 450–57. Berlin, Heidelberg: Springer Berlin Heidelberg, 2010. http://dx.doi.org/10.1007/978-3-642-16687-7_60.
Full textRanjan, Prabhat, and Tanmoy Chakraborty. "Theoretical Analysis of Au-V Nanoalloy Clusters: A Density Functional Approach." In Materials Physics and Chemistry, 149–58. Includes bibliographical references and index.: Apple Academic Press, 2020. http://dx.doi.org/10.1201/9780367816094-8.
Full textRanjan, Prabhat, Pancham Kumar, and Tanmoy Chakraborty. "Theoretical Analysis of CuTiS2 and CuTiSe2 Invoking Density Functional Theory-Based Descriptors." In Mathematics Applied to Engineering in Action, 61–70. Includes bibliographical references and index.: Apple Academic Press, 2020. http://dx.doi.org/10.1201/9781003055174-3.
Full textConference papers on the topic "Density functional analysis"
Gattone, Stefano A., and Tonio Di Battista. "Density modelling with functional data analysis." In CARMA 2023 - 5th International Conference on Advanced Research Methods and Analytics. Valencia: Universitat Politècnica de València, 2023. http://dx.doi.org/10.4995/carma2023.2023.16467.
Full textJia, Weile, Lin-Wang Wang, and Lin Lin. "Parallel transport time-dependent density functional theory calculations with hybrid functional on summit." In SC '19: The International Conference for High Performance Computing, Networking, Storage, and Analysis. New York, NY, USA: ACM, 2019. http://dx.doi.org/10.1145/3295500.3356144.
Full textZhang, Xiaotong, Xingyao Yan, Dandan Yan, Minming Zhang, Fei Sun, Shanan Zhu, and Bin He. "Noise Analysis of Current Density Imaging: A Pilot Study." In 2007 Joint Meeting of the 6th International Symposium on Noninvasive Functional Source Imaging of the Brain and Heart and the International Conference on Functional Biomedical Imaging. IEEE, 2007. http://dx.doi.org/10.1109/nfsi-icfbi.2007.4387774.
Full textBebeau, Jon M., and Arash Takshi. "Density functional theory analysis of perovskite at ambient temperature." In Organic, Hybrid, and Perovskite Photovoltaics XXII, edited by Zakya H. Kafafi, Paul A. Lane, Gang Li, Ana Flávia Nogueira, and Ellen Moons. SPIE, 2021. http://dx.doi.org/10.1117/12.2594937.
Full textDi Napoli, Edoardo, Paolo Bientinesi, Theodore E. Simos, George Psihoyios, and Ch Tsitouras. "Matrix Structure Exploitation in Generalized Eigenproblems Arising in Density Functional Theory." In ICNAAM 2010: International Conference of Numerical Analysis and Applied Mathematics 2010. AIP, 2010. http://dx.doi.org/10.1063/1.3498648.
Full textDawson, William, and Francois Gygi. "Optimized Scheduling Strategies for Hybrid Density Functional theory Electronic Structure Calculations." In SC14: International Conference for High Performance Computing, Networking, Storage and Analysis. IEEE, 2014. http://dx.doi.org/10.1109/sc.2014.61.
Full textWang, Long, Yue Wu, Weile Jia, Weiguo Gao, Xuebin Chi, and Lin-Wang Wang. "Large scale plane wave pseudopotential density functional theory calculations on GPU clusters." In 2011 International Conference for High Performance Computing, Networking, Storage and Analysis. New York, New York, USA: ACM Press, 2011. http://dx.doi.org/10.1145/2063384.2063479.
Full textWang, Zhi Heng, Jian Xiang, Wen Hui Long, and Zhi Pan Li. "COVARIANT DENSITY FUNCTIONAL ANALYSIS OF SHAPE EVOLUTION IN N = 40 ISOTONES." In 15th National Conference on Nuclear Structure in China. WORLD SCIENTIFIC, 2016. http://dx.doi.org/10.1142/9789813109636_0031.
Full textLi, Z. P., J. M. Yao, D. Vretenar, T. Nikšić, and J. Meng. "Energy density functional analysis of shape coexistence in [sup 44]S." In NUCLEAR STRUCTURE AND DYNAMICS 2012. AIP, 2012. http://dx.doi.org/10.1063/1.4764246.
Full textKarki, Suyogya, Vivian Rogers, Sophia Chen, Priyamvada Jadaun, Daniel S. Marshall, and Jean Anne C. Incorvia. "Density functional theory analysis of symmetry-filtering scandium nitride magnetoresistive junctions." In Spintronics XIV, edited by Henri-Jean M. Drouhin, Jean-Eric Wegrowe, and Manijeh Razeghi. SPIE, 2021. http://dx.doi.org/10.1117/12.2594744.
Full textReports on the topic "Density functional analysis"
Moonwichit, Nitipon, Catherine Ma, Theeraphat Pothisawang, Joy Shin, Allon Percus, Jeffrey Hyman, Philip Stauffer, and Justin Strait. Improving Density Curve Predictions and Uncertainty Quantification with Functional Data Analysis. Office of Scientific and Technical Information (OSTI), May 2024. http://dx.doi.org/10.2172/2346044.
Full textChernis, Tony, Niko Hauzenberger, Florian Huber, Gary Koop, and James Mitchell. Predictive Density Combination Using a Tree-Based Synthesis Function. Federal Reserve Bank of Cleveland, November 2023. http://dx.doi.org/10.26509/frbc-wp-202330.
Full textDunlap, Brett I., Shashi P. Karna, and Rajendra R. Zope. Dipole Moments From Atomic-Number-Dependent Potentials in Analytic Density-Functional Theory. Fort Belvoir, VA: Defense Technical Information Center, January 2010. http://dx.doi.org/10.21236/ada522802.
Full textNilson, R. H., and S. K. Griffiths. A locally analytic density functional theory describing adsorption and condensation in microporous materials. Office of Scientific and Technical Information (OSTI), February 1997. http://dx.doi.org/10.2172/477615.
Full textChow, Winston C. Analysis of the Probability Density Function of the Monopulse Ratio Radar Signal. Fort Belvoir, VA: Defense Technical Information Center, August 1996. http://dx.doi.org/10.21236/ada315600.
Full textWang, Xinrun, Tianye Li, Xuechai Bai, Yun Zhu, and Meiliang Zhang. Therapeutic prospect on umbilical cord mesenchymal stem cells in animal model with primary ovarian insufficiency: A meta-analysis. INPLASY - International Platform of Registered Systematic Review and Meta-analysis Protocols, May 2023. http://dx.doi.org/10.37766/inplasy2023.5.0075.
Full textCameron, Arthur, Shimshon Ben-Yehoshua, and Rebecca Hernandez. Design and Function of Modified Atmosphere Packaging Systems for Fresh Produce: a Unified Approach for Optimizing Oxygen, Carbon Dioxide and Relative Humidity. United States Department of Agriculture, January 1996. http://dx.doi.org/10.32747/1996.7613019.bard.
Full textGaglianone, Wagner Piazza, and Waldyr Dutra Areosa. Financial Conditions Indicator for Brazil. Inter-American Development Bank, August 2017. http://dx.doi.org/10.18235/0011805.
Full textLewis, Sherman, Emilio Grande, and Ralph Robinson. The Mismeasurement of Mobility for Walkable Neighborhoods. Mineta Transportation Institute, November 2020. http://dx.doi.org/10.31979/mti.2020.2060.
Full textParkins and Leis. L51654 Spatial Densities of Stress-Corrosion Cracks in Line-Pipe Steels. Chantilly, Virginia: Pipeline Research Council International, Inc. (PRCI), April 1992. http://dx.doi.org/10.55274/r0010367.
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