Search results for "Many body"
showing 10 items of 28 documents
Technical Aspects for the Evaluation of Circulating Nucleic Acids (CNAs): Circulating Tumor DNA (ctDNA) and Circulating MicroRNAs
2017
Circulating nucleic acids (CNAs), for example, circulating tumor DNA (ctDNA) and circulating microRNA (miRNA), represent promising biomarkers in several diseases including cancer. They can be isolated from many body fluids, such as blood, saliva, and urine. Also ascites, cerebrospinal fluids, and pleural effusion may be considered as a source of CNAs, but with several and intrinsic limitations. Therefore, blood withdrawal represents one of the best sources for CNAs due to the very simple and minimally invasive way of sampling. Moreover, it can be repeated at different time points, giving the opportunity for a real-time monitoring of the disease.
Many-body Green's function theory of electrons and nuclei beyond the Born-Oppenheimer approximation
2020
The method of many-body Green's functions is developed for arbitrary systems of electrons and nuclei starting from the full (beyond Born-Oppenheimer) Hamiltonian of Coulomb interactions and kinetic energies. The theory presented here resolves the problems arising from the translational and rotational invariance of this Hamiltonian that afflict the existing many-body Green's function theories. We derive a coupled set of exact equations for the electronic and nuclear Green's functions and provide a systematic way to approximately compute the properties of arbitrary many-body systems of electrons and nuclei beyond the Born-Oppenheimer approximation. The case of crystalline solids is discussed …
Generalized Many-Body Expanded Full Configuration Interaction Theory
2019
Facilitated by a rigorous partitioning of a molecular system's orbital basis into two fundamental subspaces - a reference and an expansion space, both with orbitals of unspecified occupancy - we generalize our recently introduced many-body expanded full configuration interaction (MBE-FCI) method to allow for electron-rich model and molecular systems dominated by both weak and strong correlation to be addressed. By employing minimal or even empty reference spaces, we show through calculations on the one-dimensional Hubbard model with up to 46 lattice sites, the chromium dimer, and the benzene molecule how near-exact results may be obtained in a entirely unbiased manner for chemical and physi…
Many-Body Expanded Full Configuration Interaction. II. Strongly Correlated Regime
2019
In this second part of our series on the recently proposed many-body expanded full configuration interaction (MBE-FCI) method, we introduce the concept of multideterminantal expansion references. Through theoretical arguments and numerical validations, the use of this class of starting points is shown to result in a focussed compression of the MBE decomposition of the FCI energy, thus allowing chemical problems dominated by strong correlation to be addressed by the method. The general applicability and performance enhancements of MBE-FCI are verified for standard stress tests such as the bond dissociations in H$_2$O, N$_2$, C$_2$, and a linear H$_{10}$ chain. Furthermore, the benefits of em…
Dynamical stability of a many-body Kapitza pendulum
2015
We consider a many-body generalization of the Kapitza pendulum: the periodically-driven sine-Gordon model. We show that this interacting system is dynamically stable to periodic drives with finite frequency and amplitude. This finding is in contrast to the common belief that periodically-driven unbounded interacting systems should always tend to an absorbing infinite-temperature state. The transition to an unstable absorbing state is described by a change in the sign of the kinetic term in the effective Floquet Hamiltonian and controlled by the short-wavelength degrees of freedom. We investigate the stability phase diagram through an analytic high-frequency expansion, a self-consistent vari…
Equilibrium and nonequilibrium many-body perturbation theory: a unified framework based on the Martin-Schwinger hierarchy
2013
We present a unified framework for equilibrium and nonequilibrium many-body perturbation theory. The most general nonequilibrium many-body theory valid for general initial states is based on a time-contour originally introduced by Konstantinov and Perel'. The various other well-known formalisms of Keldysh, Matsubara and the zero-temperature formalism are then derived as special cases that arise under different assumptions. We further present a single simple proof of Wick's theorem that is at the same time valid in all these flavors of many-body theory. It arises simply as a solution of the equations of the Martin-Schwinger hierarchy for the noninteracting many-particle Green's function with…
Au38Q MBTR-K3
2020
Purpose The purpose of Au38Q MBTR-K3 is to test the scalability of a machine learning regression model when the number of observations and the number of features change. Background The Au38Q MBTR-K3 was created from a trajectory file regarding the density functional theory simulation of Au38Q hybrid nanoparticle performed by Juarez-Mosqueda et al. in their paper Ab initio molecular dynamics studies of Au38(SR)24 isomers under heating using the MBTR descriptor by Himanen et al. as presented in paper DScribe: Library of descriptors for machine learning in materials science. The MBTR was used with the default parameters for K=3 (angles between atoms) presented at the website of Dscribe version…
Au38Q MBTR-K3
2020
Purpose The purpose of Au38Q MBTR-K3 is to test the scalability of a machine learning regression model when the number of observations and the number of features change. Background The Au38Q MBTR-K3 was created from a trajectory file regarding the density functional theory simulation of Au38Q hybrid nanoparticle performed by Juarez-Mosqueda et al. in their paper Ab initio molecular dynamics studies of Au38(SR)24 isomers under heating using the MBTR descriptor by Himanen et al. as presented in paper DScribe: Library of descriptors for machine learning in materials science. The MBTR was used with the default parameters for K=3 (angles between atoms) presented at the website of Dscribe vers…
Many body modes of antiproton annihilation tested with antiproton production
1992
We study the inclusive (y,¯ p) and (p,p) reactions in nuclei and check the sensitivity to the¯p annihilation mechanisms. We find that including the many body annihilation mechanisms in nuclei reduces appreciably the cross section of these reactions with respect to the evaluation considering only the one body mechanism of¯p annihilation. This shows that the¯p production reactions are more sensitive to¯p annihilation than the direct¯p annihilation reactions and makes the production experiments very useful tools to investigate the complex mechanisms of¯p annihilation in nuclei.
Chiral restoration from pionic atoms?
2002
We evaluate widths and shifts of pionic atoms using a theoretical microscopical potential in which the pion decay constant $f_\pi$ is changed by an in--medium density dependent one ($f_\pi(\rho)$), predicted by different partial Chiral restoration calculations. We show that the results obtained for shifts and widths are worse than if this modification were not implemented. On the other hand, we argue that in microscopic many body approaches for the pion selfenergy, based on effective Lagrangians, the mechanisms responsible for the change of $f_\pi$ in the medium should be automatically incorporated. Therefore, the replacement of $f_\pi$ by $f_\pi(\rho)$ in the many body derivation of the mi…