نتایج جستجو برای: slater rules

تعداد نتایج: 127857  

Journal: :Geopolítica(s). Revista de estudios sobre espacio y poder 1970

Journal: :The William and Mary Quarterly 1961

Journal: :Chinese Science Bulletin 1988

2008
James McLaughlin Andrew Sills Andrew V. Sills

We provide the missing member of a family of four q-series identities related to the modulus 36, the other members having been found by Ramanujan and Slater. We examine combinatorial implications of the identities in this family, and of some of the identities we considered in “Identities of the Ramanujan-Slater type related to the moduli 18 and 24,” [J. Math. Anal. Appl. 344/2 (2008) 765–777].

2006
Gerd Bergmann

An approximate ground state of the Anderson-Friedel impurity problem is presented in a very compact form. It requires solely the optimization of two localized electron states and consists of four Slater states Slater determinants . The resulting singlet ground-state energy lies far below the Anderson mean-field solution and agrees well with the numerical results by Gunnarsson and Schönhammer, w...

2012
C. J. Umrigar

A quantum Monte Carlo study of the atomization energies for the G2 set of molecules is presented. Basis size dependence of diffusion Monte Carlo atomization energies is studied with a single determinant Slater-Jastrow trial wavefunction formed from Hartree-Fock orbitals. With the largest basis set, the mean absolute deviation from experimental atomization energies for the G2 set is 3.0 kcal/mol...

2015
Fabien Tran Peter Blaha Karlheinz Schwarz

The Becke–Roussel (BR) potential [Phys. Rev. A 1989, 39, 3761] was proposed as an approximation to the Slater potential, which is the Coulomb potential generated by the exact exchange hole. In the present work, a detailed comparison between the Slater and BR potentials in solids is presented. It is shown that the two potentials usually lead to very similar results for the electronic structure; ...

Journal: :The journal of the American Academy of Psychiatry and the Law 2003
Barry W Wall Brandon H Krupp Thomas Guilmette

This article describes the development and use of a formal training tool for restoration of competency in clients with mental retardation who are incompetent to stand trial. The program was developed at Eleanor Slater Hospital within the Rhode Island Department of Mental Health, Retardation and Hospitals. This article describes the development of The Slater Method, the training tool format, the...

2008
Xiaofeng Qian Ju Li Liang Qi Cai-Zhuang Wang Tzu-Liang Chan Yong-Xin Yao Kai-Ming Ho Sidney Yip

Wave functions obtained from plane-wave density-functional theory (DFT) calculations using normconserving pseudopotential, ultrasoft pseudopotential, or projector augmented-wave method are efficiently and robustly transformed into a set of spatially localized nonorthogonal quasiatomic orbitals (QOs) with pseudoangular momentum quantum numbers. We demonstrate that these minimal-basis orbitals ca...

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