LEADER 04189nam 2200625Ia 450 001 9910457028503321 005 20200520144314.0 010 $a1-61324-867-9 035 $a(CKB)2550000000046453 035 $a(EBL)3018247 035 $a(SSID)ssj0000569857 035 $a(PQKBManifestationID)11931352 035 $a(PQKBTitleCode)TC0000569857 035 $a(PQKBWorkID)10587745 035 $a(PQKB)11167058 035 $a(MiAaPQ)EBC3018247 035 $a(Au-PeEL)EBL3018247 035 $a(CaPaEBR)ebr10659169 035 $a(OCoLC)847632165 035 $a(EXLCZ)992550000000046453 100 $a20100201d2011 uy 0 101 0 $aeng 135 $aur|n|---||||| 181 $ctxt 182 $cc 183 $acr 200 00$aQuantum frontiers of atoms and molecules$b[electronic resource] /$feditor, Mihai V. Putz 210 $aHauppauge, N.Y. $cNova Science Publishers$dc2011 215 $a1 online resource (687 p.) 225 0 $aChemistry research and applications 300 $aDescription based upon print version of record. 311 $a1-61668-158-6 320 $aIncludes bibliographical references and index. 327 $a""1. Why a Reappraisal Is Necessary """"2. The Relevance of the Classical Framework ""; ""3. On the Two Kinds of Incompatibility ""; ""4. Wholeness and the Proper Logic for Complementarity ""; ""5. The Reduction of Duality ""; ""References ""; ""COMPLEMENTARITY OUT OF CONTEXT: ESSAY ON THE RATIONALITY OF BOHRa???S THOUGHT""; ""Abstract ""; ""1. Complementarity Contextualized ""; ""2. Complementarity: A Stumbling Block on the Way to Context ""; ""3. The Duality Route to Context ""; ""4. Incommensurability: Last Resorta???and Last Exit ""; ""5. The Concept of Action Quantization "" 327 $a""6. Tying Loose Ends """"Appendix ""; ""Notes ""; ""References ""; ""MOLECULAR INTEGRALS OVER SLATER-TYPE ORBITALS. FROM PIONEERS TO RECENT DEVELOPMENTS""; ""Abstract""; ""1.Introduction""; ""2.Early History of the Slater Orbitals""; ""3.History of the STO Computer Programs""; ""4.Slater Orbitals & Gaussian Orbitals""; ""5.Types of Exponentially Decaying Orbital, Based on Eigen-functions for One-Electron Atoms""; ""6.Types of Integral over Slater Orbitals""; ""6.1.One-Electron Integrals""; ""6.2.Two-Electron Integrals""; ""6.3.Three- and Four-Electron Integrals"" 327 $a""7.Methods in the Literature""""7.1.Single-Center Expansion""; ""7.2.Gaussian Expansion""; ""7.3.Gaussian Transform Method""; ""7.4.Fourier-Transform Method""; ""7.5.Use of Sturmians""; ""7.6.Elliptic Coordinate Method""; ""8.General Two-electron Exponential Type Orbital Integrals in Poly-Atomics without Orbital Translations""; ""8.1.Introduction""; ""8.2.Basis Sets""; ""8.3.Programming Strategy""; ""8.4.Avoiding ETO Translations for Two-Electron Integrals over Three and Four Centers""; ""8.5.Numerical Results of Coulomb Resolutions: Efficiency"" 327 $a""8.6.Selected Exchange Integrals for the CH3F Molecule (Evaluated Using the Coulomb Resolution)""""8.7.Conclusions""; ""9.Explicitly Correlated Methods for Molecules""; ""10.Highly Accurate Calculations Using STOs""; ""11.Closing Remarks""; ""Acknowledgements""; ""References""; ""TUNNELING DYNAMICS AND ITS SIGNATURES IN COUPLED SYSTEMS""; ""Abstract""; ""1.Introduction""; ""2.Historical Development""; ""A.Tunneling in Physics""; ""B.Tunneling in Chemistry""; ""C.Tunneling in Coupled Systems""; ""3.The Method""; ""A.Dynamics of the Coupled System in the Absence of Driving"" 327 $a""B.Dynamics of the Coupled System in the Presence of External Driving"" 410 0$aChemistry Research and Applications 606 $aChemical bonds$xMathematical models 606 $aDirac equation 606 $aQuantum chemistry 608 $aElectronic books. 615 0$aChemical bonds$xMathematical models. 615 0$aDirac equation. 615 0$aQuantum chemistry. 676 $a541/.28 701 $aPutz$b Mihai V$0768322 801 0$bMiAaPQ 801 1$bMiAaPQ 801 2$bMiAaPQ 906 $aBOOK 912 $a9910457028503321 996 $aQuantum frontiers of atoms and molecules$92280664 997 $aUNINA LEADER 02564nam 2200685 a 450 001 9910457815703321 005 20200520144314.0 010 $a0-8389-9319-2 010 $a1-283-27360-8 010 $a9786613273604 010 $a0-8389-9318-4 035 $a(CKB)2550000000056724 035 $a(EBL)772269 035 $a(OCoLC)753480537 035 $a(SSID)ssj0000537189 035 $a(PQKBManifestationID)12176348 035 $a(PQKBTitleCode)TC0000537189 035 $a(PQKBWorkID)10553024 035 $a(PQKB)10839133 035 $a(MiAaPQ)EBC772269 035 $a(Au-PeEL)EBL772269 035 $a(CaPaEBR)ebr10504848 035 $a(CaONFJC)MIL327360 035 $a(EXLCZ)992550000000056724 100 $a20110707d2012 uy 0 101 0 $aeng 135 $aur|n|---||||| 181 $ctxt 182 $cc 183 $acr 200 10$aGoing mobile$b[electronic resource] $edeveloping apps for your library using basic HTML programming /$fScott La Counte 210 $aChicago $cAmerican Library Association$d2012 215 $a1 online resource (61 p.) 225 1 $aALA editions. 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