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Structure and bonding

Density Functional Theory of Bose–Einstein Condensation: Road to Chemical Bonding Quantum Condensate

Mihai V. Putz

Published Jan 1, 2012• 17 citations
Publisher
DOI
10.1007/978-3-642-32753-7_1

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Potential ........................................................................................................... 143 6.7Exchange Density Functional of Homogeneous Systems-–Bosonic Case ..... 150 Keywords ................................................................................................................. 157 6.1 INTRODUCTION The basics of Density Functional Theory (DFT) and of Bose-Einstein Condensation (BEC) are merged such that the DFT enriches with the order parameter equation from the BEC modeling, while BEC acquires the new equation for the condensate density as provided by the DFT Hohenberg-KS analysis. Together, BEC-DFT may constitute as the next level of comprehension in modeling condensed matter in physics and chemical bond in chemistry, in particular, while providing the clue how the unified theory of physical-chemical phenomena should look like (Albus et al., 2003; Argaman and Band, 2011; Brand, 2004; Kim and Vetter, 1997; Nunes, 1999; Putz, 2011d; Zubarev, 2003).

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Potential ........................................................................................................... 143 6.7Exchange Density Functional of Homogeneous Systems-–Bosonic Case ..... 150 Keywords ................................................................................................................. 157 6.1 INTRODUCTION The basics of Density Functional Theory (DFT) and of Bose-Einstein Condensation (BEC) are merged such that the DFT enriches with the order parameter equation from the BEC modeling, while BEC acquires the new equation for the condensate density as provided by the DFT Hohenberg-KS analysis. Together, BEC-DFT may constitute as the next level of comprehension in modeling condensed matter in physics and chemical bond in chemistry, in particular, while providing the clue how the unified theory of physical-chemical phenomena should look like (Albus et al., 2003; Argaman and Band, 2011; Brand, 2004; Kim and Vetter, 1997; Nunes, 1999; Putz, 2011d; Zubarev, 2003).