Results 211 to 220 of about 110,658 (234)

Accurate calculation and modeling of the adiabatic connection in density functional theory

The Journal of Chemical Physics, 2010
Using a recently implemented technique for the calculation of the adiabatic connection (AC) of density functional theory (DFT) based on Lieb maximization with respect to the external potential, the AC is studied for atoms and molecules containing up to ten electrons: the helium isoelectronic series, the hydrogen molecule, the beryllium isoelectronic ...
Teale A. M., CORIANI, Sonia, Helgaker T.
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Adiabatic connection in spin-current density functional theory

Physical Review B, 2020
The spin-current density functional theory (SCDFT), when formulated in a basis of Pauli spinors, provides a proper theoretical framework for the study of materials in an arbitrarily oriented external magnetic field and/or upon inclusion of spin-dependent relativistic effects, such as spin-orbit coupling. The SCDFT is formulated in terms of the particle-
Jacques K. Desmarais, Jean-Pierre Flament, Alessandro Erba   +2 more
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Generalized adiabatic connection in density functional theory

The Journal of Chemical Physics, 1998
A generalized adiabatic connection is developed for density functional theory. The method extends the well-known adiabatic connection formula and provides a general link between the Kohn–Sham and the physical system. When the complimentary error function is used as a special case, the expression for the exchange-correlation functional does not have the
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Altered functional connectivity density in major depressive disorder at rest

European Archives of Psychiatry and Clinical Neuroscience, 2015
Major depressive disorder is characterized by abnormal brain connectivity at rest. Currently, most studies investigating resting-state activity rely on a priori restrictions on specific networks or seed regions, which may bias observations. We hence sought to elicit functional alterations in a hypothesis-free approach.
Bin, Zhang, Meng, Li, Wen, Qin, Liliana Ramona, Demenescu, Coraline Danielle, Metzger, Bernhard, Bogerts, Chunshui, Yu, Martin, Walter   +7 more
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Abnormal Functional Connectivity Density in Post-traumatic Stress Disorder

Brain Topography, 2016
Post-traumatic stress disorder (PTSD) is a psychiatric disorder that occurs in individuals who have experienced life-threatening mental traumas. Previous neuroimaging studies have indicated that the pathology of PTSD may be associated with the abnormal functional integration among brain regions.
Youxue, Zhang, Bing, Xie, Heng, Chen, Meiling, Li, Feng, Liu, Huafu, Chen   +5 more
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Integration, continuity and a connection with probability density functions

International Journal of Mathematical Education in Science and Technology, 2006
This note considers functions of two variables which are continuous on a possibly unbounded closed region in |R2, and the functions of one variable obtained by integrating out the other variable over this region. The question of continuity of these functions is investigated, as are connections with joint density and marginal density functions.
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Local-density approximation, hierarchy of equations, functional expansion, and adiabatic connection in current-density-functional theory

Physical Review A, 1996
Identities and approximations are proposed for the current-density-functional theory. Based on the virial theorem and the scaling properties of the kinetic and exchange energy density functionals, when local and variable-separation assumptions are made, local formulas for these functionals are obtained.
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Abnormal functional connectivity density in patients with obsessive–compulsive disorder

NeuroReport
Objective This study investigated abnormal short- and long-range functional connectivity density (FCD) and resting-state functional connectivity (rsFC) within and outside the cortico-striatal-thalamic (CST) loop in patients with obsessive–compulsive disorder (OCD).
Zihe, Xu, Linglong, Chen, Zhijun, Luo, Yuanyuan, Wang, Xingbo, Suo, Feng, Ouyang, Xuewen, Lu, Xianjun, Zeng, Maorong, Hu   +8 more
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On the connection between the one-particle Green's function and the density-density correlation function in a large bose system

Acta Physica Academiae Scientiarum Hungaricae, 1968
We consider a large system of interacting bosons with a homogeneous condensate at absolute zero temperature. By carrying out an analysis of the perturbation expansion of the one-particle Green's function and the density—density correlation function, we derive a general relationship between them.
I. Kondor, P. Szépfalusy
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The impact of SNAP25 on brain functional connectivity density and working memory in ADHD

Biological Psychology, 2018
Attention deficit/hyperactivity disorder (ADHD) is a highly heritable neurodevelopment disorder. The deficit in working memory is a central cognitive impairment in ADHD. The SNAP-25 is a neurotransmitter vesicular docking protein whose MnlI polymorphism (rs3746544) is located in the 3'-untranslated region (3'-UTR) and known to be linked to ADHD, but ...
Chao, Wang, Binrang, Yang, Diangang, Fang, Hongwu, Zeng, Xiaowen, Chen, Gang, Peng, Qiuying, Cheng, Guohua, Liang   +7 more
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