نتایج جستجو برای: ab initio

تعداد نتایج: 43199  

2004
Michael Moseler Dietrich Wolf Gernot Münster Manfred Kremer

c © 2003 by John von Neumann Institute for Computing Permission to make digital or hard copies of portions of this work for personal or classroom use is granted provided that the copies are not made or distributed for profit or commercial advantage and that copies bear this notice and the full citation on the first page. To copy otherwise requires prior specific permission by the publisher ment...

2000
R. Schiavilla

The status of ab initio microscopic calculations of the H(p, γ)He and He(p, eνe) He reactions is reviewed. The methods used to generate accurate nuclear groundand scattering-state wave functions, and to construct realistic electro-weak transition operators are described. The uncertainties in the theoretical predictions, particularly those relevant to the p He weak capture, are discussed. For th...

2006
P. Navrátil

There has been a significant progress in ab initio approaches to the structure of light nuclei. Starting from realistic twoand three-nucleon interactions the ab initio no-core shell model (NCSM) can predict low-lying levels in p-shell nuclei. It is a challenging task to extend ab initio methods to describe nuclear reactions. In this contribution, we present a brief overview of the the first ste...

2007
Peter Knowles Martin Schütz Hans-Joachim Werner PETER KNOWLES

c © 2000 by John von Neumann Institute for Computing Permission to make digital or hard copies of portions of this work for personal or classroom use is granted provided that the copies are not made or distributed for profit or commercial advantage and that copies bear this notice and the full citation on the first page. To copy otherwise requires prior specific permission by the publisher ment...

2004
ERIC R. SCERRI

Quantum Mechanics has been the most spectacularly successful theory in the history of science. As is often mentioned the accuracy to which the gyromagnetic ratio of the electron can be calculated is a staggering nine decimal places. Quantum Mechanics has revolutionized the study of radiation and matter since its inception just over one hundred years ago. The impact of the theory has been felt i...

پایان نامه :وزارت علوم، تحقیقات و فناوری - دانشگاه فردوسی مشهد - دانشکده علوم 1377

ترکیب -1فنیل -3آمینو -2بوتن -1 ون و کمپلکس مس (ii) آن تهیه و خالص شده اند. همچنین ترکیب فوق در موقعیتهای آمینو و آلیلی دوتره شده است . سپس طیفهای ارتعاشی مادون قرمز و رامان این ترکیبات تفسیر شده اند. علاوه بر این با استفاده از محاسبات ab initio در سطح hf/6-31g ساختمان ترکیب فوق و ایزومر ساختمانی آن، -4فنیل -4آمینو -3بوتن -2 ون، در دو طرف چاه پتانسیل هیدروژن کمینه و فرکانسهای ارتعاشی آنها محاسبه...

2011
Patrick Carlsson Tien Son Nguyen A. Gali J. Isoya N. Morishita T. Ohshima B. Magnusson

2001
A. J. van der Poorten Alf van der Poorten

The elementary nature and simplicity of the theory of continued fractions is mostly well disguised in the literature. This makes one reluctant to quote sources when making a remark on the subject and seems to necessitate redeveloping the theory ab initio. That had best be done succinctly. That is done here and allows the retrieval of some amusing results on pattern in the period of the continue...

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