Coupled-cluster calculations for valence systems aroundO16

نویسندگان
چکیده

برای دانلود رایگان متن کامل این مقاله و بیش از 32 میلیون مقاله دیگر ابتدا ثبت نام کنید

اگر عضو سایت هستید لطفا وارد حساب کاربری خود شوید

منابع مشابه

Convergence improvement for coupled cluster calculations

Convergence problems in coupled-cluster iterations are discussed, and a new iteration scheme is proposed. Whereas the Jacobi method inverts only the diagonal part of the large matrix of equation coefficients, we invert a matrix which also includes a relatively small number of off-diagonal coefficients, selected according to the excitation amplitudes undergoing the largest change in the coupled ...

متن کامل

Coupled-cluster calculations using local potentials

C. Gutlé, J. L. Heully, J. B. Krieger, and A. Savin Laboratoire de Chimie Théorique, CNRS and Université Pierre et Marie Curie, F-75252 Paris, France Laboratoire de Physique Quantique, Univerité Paul Sabatier, F-31062 Toulouse, France Physics Department, Brooklyn College, CUNY, Brooklyn, New York 11210 Laboratoire de Chimie Théorique, CNRS and Université Pierre et Marie Curie, F-75252 Paris, Fr...

متن کامل

Coupled-cluster and configuration-interaction calculations for heavy nuclei.

We compare coupled-cluster (CC) and configuration-interaction (CI) results for (56)Ni obtained in the pf-shell basis, focusing on practical CC approximations that can be applied to systems with dozens or hundreds of correlated fermions. The weight of the reference state and the strength of correlation effects are controlled by the gap between the f(7/2) orbit and the f(5/2), p(3/2), p(1/2) orbi...

متن کامل

Local Correlation Calculations Using Standard and Renormalized Coupled - Cluster Methods

Submitted for the MAR09 Meeting of The American Physical Society Local Correlation Calculations Using Standard and Renormalized Coupled-Cluster Methods PIOTR PIECUCH, WEI LI, JEFFREY GOUR, Department of Chemistry, Michigan State University — Local correlation variants of the coupled-cluster (CC) theory with singles and doubles (CCSD) and CC methods with singles, doubles, and non-iterative tripl...

متن کامل

Coupled cluster calculations of optical rotatory dispersion of (S)-methyloxirane.

Coupled cluster (CC) and density-functional theory (DFT) calculations of optical rotation, [alpha](lambda), have been carried out for the difficult case of (S)-methyloxirane for comparison to recently published gas-phase cavity ringdown polarimetry data. Both theoretical methods are exquisitely sensitive to the choice of one-electron basis set, and diffuse functions have a particularly large im...

متن کامل

ذخیره در منابع من


  با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید

ژورنال

عنوان ژورنال: Physical Review C

سال: 2006

ISSN: 0556-2813,1089-490X

DOI: 10.1103/physrevc.74.024310