scholarly journals Metastability associated with many-body explosion of eigenmode expansion coefficients

2021 ◽  
Vol 3 (4) ◽  
Author(s):  
Takashi Mori
Keyword(s):  
Many Body ◽  
Eigenmode Expansion ◽  
Expansion Coefficients

scholarly journals Virial expansion coefficients in the unitary Fermi gas

2020 ◽  
Author(s):  
Shimpei Endo
Keyword(s):  
Recent Progress ◽  
Cold Atoms ◽  
Virial Coefficient ◽  
Fermi Gas ◽  
Virial Expansion ◽  
Strongly Correlated ◽  
Many Body ◽  
Unitary Fermi Gas ◽  
Expansion Coefficients ◽  
Many Body Systems

Virial expansion is widely used in cold atoms to analyze high temperature strongly correlated many-body systems. As the n-th order virial expansion coefficient can be accurately obtained by exactly solving up to n-body problems, the virial expansion offers a few-body approach to study strongly correlated many-body problems. In particular, the virial expansion has successfully been applied to unitary Fermi gas. We review recent progress of the virial expansion studies in the unitary Fermi gas, in particular the fourth order virial coefficient.

Defects in β-SiC thin films grown on α-SiC substrates

1988 ◽  
Vol 46 ◽  
pp. 568-569
Author(s):  
Karren L. More
Keyword(s):  
Thin Films ◽  
Semiconductor Device ◽  
Lattice Mismatch ◽  
Chemical Vapor ◽  
Substrate Material ◽  
Growth Interface ◽  
Si Substrates ◽  
Thermal Expansion Coefficients ◽  
Device Applications ◽  
Expansion Coefficients

Beta-SiC is an ideal candidate material for use in semiconductor device applications. Currently, monocrystalline β-SiC thin films are epitaxially grown on {100} Si substrates by chemical vapor deposition (CVD). These films, however, contain a high density of defects such as stacking faults, microtwins, and antiphase boundaries (APBs) as a result of the 20% lattice mismatch across the growth interface and an 8% difference in thermal expansion coefficients between Si and SiC. An ideal substrate material for the growth of β-SiC is α-SiC. Unfortunately, high purity, bulk α-SiC single crystals are very difficult to grow. The major source of SiC suitable for use as a substrate material is the random growth of {0001} 6H α-SiC crystals in an Acheson furnace used to make SiC grit for abrasive applications. To prepare clean, atomically smooth surfaces, the substrates are oxidized at 1473 K in flowing 02 for 1.5 h which removes ∽50 nm of the as-grown surface. The natural {0001} surface can terminate as either a Si (0001) layer or as a C (0001) layer.

Novel simulation model for many-body multipole dispersion interactions

1998 ◽  
Vol 94 (3) ◽  
pp. 417-433 ◽  
Author(s):  
MARTIN VAN DER HOEF ◽  
PAUL MADDEN
Keyword(s):  
Simulation Model ◽  
Dispersion Interactions ◽  
Many Body

On the many-body theory of nuclear reactions

1968 ◽  
Vol 111 (1) ◽  
pp. 392-416 ◽  
Author(s):  
K DIETRICH ◽  
K HARA
Keyword(s):  
Nuclear Reactions ◽  
Many Body ◽  
Many Body Theory ◽  
The Many ◽  
Body Theory

MANY-BODY THEORY FOR HYPERFINE EFFECTS IN ATOMS AND MOLECULES

1970 ◽  
Vol 31 (C4) ◽  
pp. C4-99-C4-104
Author(s):  
T. P. DAS ◽  
C. M. DUTTA ◽  
N. C. DUTTA
Keyword(s):  
Many Body ◽  
Atoms And Molecules ◽  
Many Body Theory ◽  
Body Theory

ELECTROWETTING-INDUCED DROPLET JUMPING SIMULATION USING MANY-BODY DISSIPATIVE PARTICLE DYNAMICS

2019 ◽  
Author(s):  
Ting Liu ◽  
Anupam Mishra ◽  
Mohsen Torabi ◽  
Ahmed A. Hemeda ◽  
James Palko ◽  
...  
Keyword(s):  
Dissipative Particle Dynamics ◽  
Particle Dynamics ◽  
Many Body

Divergence of Many-Body Perturbation Theory for Noncovalent Interactions of Large Molecules

2019 ◽  
Author(s):  
Brian Nguyen ◽  
Guo P Chen ◽  
Matthew M. Agee ◽  
Asbjörn M. Burow ◽  
Matthew Tang ◽  
...  
Keyword(s):  
Perturbation Theory ◽  
System Size ◽  
State Density ◽  
Second Order ◽  
Binding Energies ◽  
Basis Set ◽  
Many Body ◽  
Many Body Perturbation Theory ◽  
Relative Errors ◽  
Ground State Density

Prompted by recent reports of large errors in noncovalent interaction (NI) energies obtained from many-body perturbation theory (MBPT), we compare the performance of second-order Møller–Plesset MBPT (MP2), spin-scaled MP2, dispersion-corrected semilocal density functional approximations (DFA), and the post-Kohn–Sham random phase approximation (RPA) for predicting binding energies of supramolecular complexes contained in the S66, L7, and S30L benchmarks. All binding energies are extrapolated to the basis set limit, corrected for basis set superposition errors, and compared to reference results of the domain-based local pair-natural orbital coupled-cluster (DLPNO-CCSD(T)) or better quality. Our results confirm that MP2 severely overestimates binding energies of large complexes, producing relative errors of over 100% for several benchmark compounds. RPA relative errors consistently range between 5-10%, significantly less than reported previously using smaller basis sets, whereas spin-scaled MP2 methods show limitations similar to MP2, albeit less pronounced, and empirically dispersion-corrected DFAs perform almost as well as RPA. Regression analysis reveals a systematic increase of relative MP2 binding energy errors with the system size at a rate of approximately 1‰ per valence electron, whereas the RPA and dispersion-corrected DFA relative errors are virtually independent of the system size. These observations are corroborated by a comparison of computed rotational constants of organic molecules to gas-phase spectroscopy data contained in the ROT34 benchmark. To analyze these results, an asymptotic adiabatic connection symmetry-adapted perturbation theory (AC-SAPT) is developed which uses monomers at full coupling whose ground-state density is constrained to the ground-state density of the complex. Using the fluctuation–dissipation theorem, we obtain a nonperturbative “screened second-order” expression for the dispersion energy in terms of monomer quantities which is exact for non-overlapping subsystems and free of induction terms; a first-order RPA-like approximation to the Hartree, exchange, and correlation kernel recovers the macroscopic Lifshitz limit. The AC-SAPT expansion of the interaction energy is obtained from Taylor expansion of the coupling strength integrand. Explicit expressions for the convergence radius of the AC-SAPT series are derived within RPA and MBPT and numerically evaluated. Whereas the AC-SAPT expansion is always convergent for nondegenerate monomers when RPA is used, it is found to spuriously diverge for second-order MBPT, except for the smallest and least polarizable monomers. The divergence of the AC-SAPT series within MBPT is numerically confirmed within RPA; prior numerical results on the convergence of the SAPT expansion for MBPT methods are revisited and support this conclusion once sufficiently high orders are included. The cause of the failure of MBPT methods for NIs of large systems is missing or incomplete “electrodynamic” screening of the Coulomb interaction due to induced particle–hole pairs between electrons in different monomers, leaving the effective interaction too strong for AC-SAPT to converge. Hence, MBPT cannot be considered reliable for quantitative predictions of NIs, even in moderately polarizable molecules with a few tens of atoms. The failure to accurately account for electrodynamic polarization makes MBPT qualitatively unsuitable for applications such as NIs of nanostructures, macromolecules, and soft materials; more robust non-perturbative approaches such as RPA or coupled cluster methods should be used instead whenever possible.<br>

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