• Title/Summary/Keyword: Transition state theory

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Core-hole Effect on Partial Electronic Density of State and O K-edge x-ray Raman Scattering Spectra of High-Pressure SiO2 Phases (전자-정공 효과(Core-Hole Effect) 적용에 따른 SiO2 고압상들의 전자구조 및 O K-edge X-선 Raman 산란 스펙트럼 계산 결과 분석)

  • Khim, Hoon;Yi, Yoo Soo;Lee, Sung Keun
    • Journal of the Mineralogical Society of Korea
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    • v.30 no.2
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    • pp.59-70
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    • 2017
  • $SiO_2$ is one of the most abundant constituents of the Earth's crust and mantle. Probing its electronic structures at high pressures is essential to understand their elastic and thermodynamic properties in the Earth's interior. The in situ high-pressure x-ray Raman scattering (XRS) experiment has been effective in providing detailed bonding transitions of the low-z materials under extreme compression. However, the relationship between the local atomic structures and XRS features at high pressure has not been fully established. The ab initio calculations have been used to overcome such experimental difficulties. Here we report the partial density of states (PDOS) of O atoms and the O K-edge XRS spectra of ${\alpha}-quartz$, ${\alpha}-cristobalite$, and $CaCl_2$-type $SiO_2$ phases calculated using ab initio calculations based on the full-potential linearized augmented plane wave (FP-LAPW) method. The unoccupied O PDOSs of the $CaCl_2$-type $SiO_2$ calculated with and without applying the core-hole effects present significantly distinctive features. The unoccupied O p states of the ${\alpha}-quartz$, ${\alpha}-cristobalite$ and $CaCl_2$-type $SiO_2$ calculated with considering the core-hole effect present similar features to their calculated O K-edge XRS spectra. This confirms that characteristic features in the O K-edge XRS stem from the electronic transition from 1s to unoccupied 2p states. The current results indicate that the core-hole effects should be taken in to consideration to calculate the precise O K-edge XRS features of the $SiO_2$ polymorphs at high pressure. Furthermore, we also calculated O K-edge XRS spectrum for $CaCl_2$-type $SiO_2$ at ~63 GPa. As the experimental spectra for these high pressure phases are not currently available, the current results for the $CaCl_2$-type $SiO_2$ provide useful prospect to predict in situ high-pressure XRS spectra.

The Great Opening of the Later World in Daesoon Thought and the World of Pre-experientialism from the Reordering Works of Heaven and Earth as Understood in Yi-Jing Studies (천지개벽의 역학적 사유에서 본 대순사상의 후천개벽과 선험주의적 세계)

  • Kim Yon-jae
    • Journal of the Daesoon Academy of Sciences
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    • v.47
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    • pp.1-37
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    • 2023
  • This essay seeks to answer the question of how best to understand Korean new religious movements (KNRMs). KNRMs have the characteristics of folk religion, ethno-religion, or popular religion. KNRMs are products of the national consciousness promoted by Korean society during the Late Joseon Dynasty at the turning point of modern Yi-Jing Studies. From the perspective of social evolutionary theory of developmental history, during that period, Joseon (Korea), like China, was faced with a double-edged sword consisting of the strength of tradition and the upheaval of modernity. If the strength of tradition depended on the Yi-Jing Studies to promote national enlightenment toward anti-imperialist aims, then it was equally the case that modernity depended on the sense of urgency to guide the people to secure livelihoods and edification regarding anti-feudalism. In this essay, the KNRMs that appeared during this transition period of Yi-Jing Studies will be a significant focus, and the worldview of Daesoon Thought will be the main focus. As one of the central topics, intensive discussion will be dedicated to the issue of the nature of pre-experientialism (先驗主義) which characterized the Great Opening (開闢). The principles of Daesoon Thought have a religious dimension of realistic awareness that guides the people's lives and edifies them. The process of the Great Opening aims to secure an ontological clock that tracks the Great Itineration of the world toward Daesoon Truth. This in turn as a process establishes the epistemological world of the Reordering Works of Heaven and Earth (天地公事) and reaches the axiological boundary of the future world. The links among the Three Realms is characterized by a pre-experientialist line that experiences the space-time nature of the universe as the Great Opening of the Later World (後天) within the framework of Heaven and Earth. Throughout this course, humans look to enjoy the infinite vitality of the universe from within their own finite vitality. Therefore, Daesoon Thought can overcome perceived reality through pre-experientialist channels such as the Great Opening of the Later World and aim for a state of self-awareness such as the Earthly Paradise. This is an attempt to participate and practice in the actual world rather than pursuing a world of transcendental ideas, and therefore, it tends to be proactive in the world rather than exhibit a passive tendency to be worldliness. In conclusion, the truth of Daesoon Thought, which is characterized by the Great Opening of the Later World, contains a future-oriented outlook that longs for a Nextopia full of hope and promise rather than idealistic fancy towards a Utopia or well-founded dread and disdain towards Dystopia.