LEADER 04252nam 22006855 450 001 9910857796103321 005 20250807135524.0 010 $a3-031-54994-5 024 7 $a10.1007/978-3-031-54994-6 035 $a(MiAaPQ)EBC31337737 035 $a(Au-PeEL)EBL31337737 035 $a(CKB)31995366300041 035 $a(DE-He213)978-3-031-54994-6 035 $a(EXLCZ)9931995366300041 100 $a20240509d2024 u| 0 101 0 $aeng 135 $aurcnu|||||||| 181 $ctxt$2rdacontent 182 $cc$2rdamedia 183 $acr$2rdacarrier 200 10$aIntroduction to Statistical Thermodynamics $eA Molecular Perspective /$fby Marcus Elstner, Qiang Cui, Maja Gruden 205 $a1st ed. 2024. 210 1$aCham :$cSpringer International Publishing :$cImprint: Springer,$d2024. 215 $a1 online resource (0 pages) 225 1 $aPhysical Chemistry in Action,$x2197-4357 311 08$a3-031-54993-7 327 $aPart I Microscopic and Macroscopic Theories -- Why Statistical Thermodynamics? -- Energies of Molecules -- Dynamics of molecules -- The laws of thermodynamics -- Principle of maximum entropy -- Part II Fundamentals of Classical Statistical Thermodynamics -- The microscopic entropy -- The Boltzmann distribution -- The canonical distribution -- The canonical ensemble -- Non-interacting and interacting systems -- Part III Application of Classical Statistical Thermodynamics -- State sum (partition function) for non-interacting systems -- Application to ideal gases of polyatomic molecules -- Chemical equilibria and kinetics -- Application to solid bodies -- Application to 2-level systems: spin systems -- Spatial distributions -- Thermodynamics of Real Gases, Liquids and Polymers -- Part IV Quantum statistics and the electronic structure of molecules -- Quantum Statistics -- Electron densities and electron correlations -- Wave function based methods -- Density Functional Theory (DFT) -- Non-covalent interactions. 330 $aThis textbook presents the fundamentals of statistical thermodynamics and electronic structure theory and focuses on introducing the central concepts of thermodynamics and their relation to microscopic theories in a conceptually clear and simple way. The emphasis is on the description of what is going on at the microscopic level, which allows readers to understand the various facets of entropy as the fundamental driving force of all material behaviors. An atomistic perspective is introduced from the beginning, highlighting the importance of molecular structure and microscopic degrees of freedom for understanding the thermodynamic properties of materials, such as heat capacity and magnetization. Because of their importance in various research fields, classical and quantum aspects are treated equally, allowing modern research topics to be addressed with molecular simulation and electronic structure theory. It is a valuable resource for undergraduate and graduate students in chemistry, physics, and materials science, and its modular structure makes it suitable for any reader. 410 0$aPhysical Chemistry in Action,$x2197-4357 606 $aChemistry, Physical and theoretical 606 $aChemistry, Physical and theoretical 606 $aThermodynamics 606 $aQuantum theory 606 $aChemometrics 606 $aPhysical Chemistry 606 $aTheoretical Chemistry 606 $aThermodynamics 606 $aQuantum Physics 606 $aMathematical Applications in Chemistry 615 0$aChemistry, Physical and theoretical. 615 0$aChemistry, Physical and theoretical. 615 0$aThermodynamics. 615 0$aQuantum theory. 615 0$aChemometrics. 615 14$aPhysical Chemistry. 615 24$aTheoretical Chemistry. 615 24$aThermodynamics. 615 24$aQuantum Physics. 615 24$aMathematical Applications in Chemistry. 676 $a541 700 $aElstner$b Marcus$01228618 701 $aCui$b Qiang$01059726 701 $aGruden$b Maja$01738703 801 0$bMiAaPQ 801 1$bMiAaPQ 801 2$bMiAaPQ 906 $aBOOK 912 $a9910857796103321 996 $aIntroduction to Statistical Thermodynamics$94161312 997 $aUNINA