• Title/Summary/Keyword: Functio & form

Search Result 3, Processing Time 0.016 seconds

Dissociation Curves of diatomic molecules and anions: A DC-DFT Study (밀도교정 밀도범함수를 이용한 이원자분자의 해리곡선 연구)

  • Go, Dong-Hyeok;Park, Han-Sol;Kim, Min-Cheol;Sim, Eun-Ji
    • Proceeding of EDISON Challenge
    • /
    • 2014.03a
    • /
    • pp.115-125
    • /
    • 2014
  • We investigate dissociation of diatomic molecules and anions using density functional theory (DFT) and density-corrected density functional theory (DC-DFT). We scan the potential energy curve of CH, NH and NO neutral molecule and its anion with both DFT and DC-DFT (in form of Hartree-Fock DFT, HF-DFT) using various functionals. Using CCSD(T) results as reference, we perform the error decomposition scheme recently proposed by Kim et al. The results show while most neutrals are $functio{\acute{n}}al$ error $domi{\bar{n}}ating$ normal calculations, $CH^-$ and $NO^-$ anions are density-driven error dominating abnormal calculations. In case of $NH^-$, traditional DFT goes to a wrong dissociation limit indicating abnormality, but both HF-DFT and CCSD(T) results need further investigation due to the kinks on the curve.

  • PDF

A Study on the Beijing hotel's Architectural Characteristics of the Early Reform & Opening times in China - Focusing on the cases of high-rise hotels from 1978 until 1992 - (중국 개혁개방 초기 북경호텔의 건축적 특성에 관한 연구 - 1978년부터 1992년까지의 고층호텔 건축사례를 중심으로 -)

  • Gao, Yong;Kim, Hwan-Sik;Lee, Jeong-Soo
    • Korean Institute of Interior Design Journal
    • /
    • v.19 no.2
    • /
    • pp.197-205
    • /
    • 2010
  • This study examines for the processes of making a architectural significant issue of 20 cases form of Beijjng's hotel through analyzing the space composition from early the 1950's to 1992 in China. In the methods of analyzing process, We study the literatures, research reports and architectural drawings including the site survey. We hope to establish the principle in morphological characteristics and space composition of Beijing's high-rise hotels through analyzing the plan of these hotels. Finally, We find out the principles after researching. Firstly, Beijing's hotels in China faced on the being difficulties through the process of national development especially in political and economical conditions of country and peoples. Consequently, size of the Beijing's hotel developed with the fact that is complicated from that is single styles focused on the medium-sized one, modernizing popularity and the high-rise hotel buildings appeared plentifully and the form appeared with tall building putting first. Secondly, there are many immanent and interlocking styles in hotel's architectural block plans, many composition styles in big sized hotels, in opposition immanent styles in small sized ones and there are many trend of concourse style in medium sized hotels. To the layout of hotel's room inside of the linear styles are many in big and medium sized hotels.

Frequency determination for beam command in rotating phase and frequency scan radar systems (회전 위상-주파수 주사 레이다 시스템의 빔 명령을 위한 주파수 결정)

  • 이민준;박정순;송익호;김광순;장태주
    • The Journal of Korean Institute of Communications and Information Sciences
    • /
    • v.23 no.5
    • /
    • pp.1319-1324
    • /
    • 1998
  • The phase and frequency commands of a ratating radar system that utilizes frequency scanning to steer the beam in the azimuth direction and phase shifters in the elevation direction are derived in terms of the angles of the groung based coordinate system. The antenna type considered is slotted arrays that are easy to construct at such high microwave frequency as the X band. The frequency that has non-linear characteristics as a functio ofthe elevation angle is plotted and the derived frequency equation is aproximated to be a simple form to reduce the calculation time for real time multi-function radar systems. It is shown that the approximated frequency command is in good agreement with the exact one if the range of azimuth scanning is limited by ${\pm}10^{\circ}$.

  • PDF