03668nam 22004572 450 99620114490331620221026010429.01-139-00188-4(CKB)1000000000820066(SSID)ssj0000371826(PQKBManifestationID)11264065(PQKBTitleCode)TC0000371826(PQKBWorkID)10412705(PQKB)11780627(UkCbUP)CR9781139001885(PPN)142349178(EXLCZ)99100000000082006620110114d2008|||| uy| 0engur|||||||||||txtrdacontentcrdamediacrrdacarrierThe Cambridge companion to the Jesuits /edited by Thomas WorcesterCambridge :Cambridge University Press,2008.1 online resource (xii, 361 pages) digital, PDF file(s)Cambridge companions to religionTitle from publisher's bibliographic system (viewed on 09 Nov 2015).0-521-67396-8 0-521-85731-7 Introduction / Thomas Worcester -- Part I. Ignatius of Loyola: -- 1. The religious milieu of the young Ignatius / Lu Ann Homza -- 2. Five personae of Ignatius of Loyola / J. Carlos Coupeau -- 3. The Spiritual Exercises / Philip Endean -- Part II. European Foundations of the Jesuits: -- 4. Jesuit Rome and Italy / Paul V. Murphy -- 5. The Society of Jesus in the Three Kingdoms / Thomas M. McCoog -- 6. Jesuit dependence on the French monarchy / Thomas Worcester -- 7: Women Jesuits? / Gemma Simmonds -- 8. Jesuits in Poland and eastern Europe / Stanislaw Obirek -- Part III. Geographic and Ethnic Frontiers: -- 9. The Jesuit enterprise in sixteenth- and seventeenth-century Japan / M. Antoni J. Üçerler -- 10. Jesuits in China / Nicolas Standaert -- 11. The Jesuits in New France / Jacques Monet -- 12. Racial and ethnic minorities in the Society of Jesus / Thomas M. Cohen -- Part IV. Arts and Sciences: -- 13. Jesuit architecture in colonial Latin America / Gauvin Alexander Bailey -- 14. The Jesuits and the quiet side of the scientific revolution / Louis Caruana -- Part V. Jesuits in the Modern World: -- 15. The suppression and restoration / Jonathan Wright -- 16. Jesuit schools in the USA, 1814-c. 1970 / Gerald McKevitt -- 17. Jesuit theological discourse since Vatican II / Mary Ann Hinsdale -- 18. Jesuits today / Thomas Worcester.Ignatius of Loyola (1491-1556) obtained papal approval in 1540 for a new international religious order called the Society of Jesus. Until the mid-1700s the 'Jesuits' were active in many parts of Europe and far beyond. Gaining both friends and enemies in response to their work as teachers, scholars, writers, preachers, missionaries and spiritual directors, the Jesuits were formally suppressed by Pope Clement XIV in 1773 and restored by Pope Pius VII in 1814. The Society of Jesus then grew until the 1960s; it has more recently experienced declining membership in Europe and North America, but expansion in other parts of the world. This Companion examines the religious and cultural significance of the Jesuits. The first four sections treat the period prior to the Suppression, while section five examines the Suppression and some of the challenges and opportunities of the restored Society of Jesus up to the present.Cambridge companions to religion.271/.53Worcester ThomasUkCbUPUkCbUPBOOK996201144903316The Cambridge companion to the Jesuits2547556UNISA05999nam 22009013u 450 991080858590332120251116164934.097835276718303527671838978352767181635276718119781299448711129944871297835276718473527671846(CKB)2550000001018621(EBL)1161544(OCoLC)841906605(SSID)ssj0000904712(PQKBManifestationID)11494224(PQKBTitleCode)TC0000904712(PQKBWorkID)10921470(PQKB)11170756(MiAaPQ)EBC1161544(Perlego)1003936(EXLCZ)99255000000101862120131223d2013|||| u|| |engur|n|---|||||txtccrAtomistic Computer Simulations A Practical Guide1st ed.Hoboken Wiley20131 online resource (363 p.)Description based upon print version of record.9783527410699 3527410694 Atomistic Computer Simulations; Contents; Preface; References; Color Plates; Part One The World at the Atomic Scale; 1 Atoms, Molecules and Crystals; 1.1 Length- and Timescales; 1.2 Electrons in an Atom; 1.3 Local Environment of an Atom; 1.3.1 Electrons; 1.3.2 Local Arrangement of Atoms; 1.4 Most Favorable Arrangement of Atoms; 1.4.1 The Concept of Total Energy; 1.4.2 Beyond the Total Energy; 1.4.3 The Most Stable Configuration; References; 2 Bonding; 2.1 Electronic Ground State; 2.2 Types of Bonds; 2.2.1 Covalent Bonding; 2.2.2 Ionic Bonding; 2.2.3 Metallic Bonding; 2.2.4 Hydrogen Bonding2.2.5 Dispersion Bonding2.3 Bond Breaking and Creation; 2.4 Distortion of Bonds; References; 3 Chemical Reactions; 3.1 Chemical Equations; 3.2 Reaction Mechanisms; 3.3 Energetics of Chemical Reactions; 3.4 Every (Valence) Electron Counts; 3.5 The Energy Zoo; References; 4 What Exactly is Calculated?; 4.1 What Can Be Calculated?; 4.2 What Actually Happens?; 4.3 Models and Simulation Cells; 4.4 Energies; 4.5 Terms; 4.6 Liquid Iron: An Example; References; Part Two Introducing Equations to Describe the System; 5 Total Energy Minimization; 5.1 The Essential Nature of Minimization5.2 Minimization Algorithms5.2.1 Steepest Descents; 5.2.2 Conjugate Gradients; 5.2.3 Quasi-Newton Methods; 5.2.4 Alternatives; 5.2.5 Exploring Landscapes; 5.2.6 Scaling and Computational Cost; 5.3 Optimize with Success; 5.3.1 Initial Configuration; 5.3.2 Initial Forces, Choice of Algorithm and Parameters; 5.3.3 Fixing Atoms; 5.3.4 Scaling with System Size; 5.4 Transition States; 5.5 Pseudokeywords; References; 6 Molecular Dynamics and Monte Carlo; 6.1 Equations of Motion; 6.2 Time and Timescales; 6.3 System Preparation and Equilibration6.4 Conserving Temperature, Pressure, Volume or Other Variables6.5 Free Energies; 6.6 Monte Carlo Approaches; 6.7 Pseudokeywords for an MD Simulation; References; Part Three Describing Interactions Between Atoms; 7 Calculating Energies and Forces; 7.1 Forcefields; 7.1.1 Reliability and Transferability; 7.2 Electrostatics; 7.3 Electronic and Atomic Motion; 7.3.1 The Born-Oppenheimer Approximation; 7.3.2 Approximating the Electronic Many-Body Problem; 7.4 Electronic Excitations; References; 8 Electronic Structure Methods; 8.1 Hartree-Fock; 8.2 Going Beyond Hartree-Fock8.3 Density Functional Theory8.4 Beyond DFT; 8.5 Basis Sets; 8.6 Semiempirical Methods; 8.7 Comparing Methods; References; 9 Density Functional Theory in Detail; 9.1 Independent Electrons; 9.2 Exchange-Correlation Functionals; 9.3 Representing the Electrons: Basis Sets; 9.3.1 Plane Waves; 9.3.2 Atomic-Like Orbitals; 9.4 Electron-Nuclear Interaction; 9.4.1 Pseudopotentials; 9.4.2 PAW; 9.4.3 Using All Electrons; 9.5 Solving the Electronic Ground State; 9.5.1 Charge Mixing and Electrostatics; 9.5.2 Metals and Occupancy; 9.6 Boundary Conditions and Reciprocal Space; 9.7 Difficult Problems9.8 PseudokeywordsMany books explain the theory of atomistic computer simulations; this book teaches you how to run them This introductory ""how to"" title enables readers to understand, plan, run, and analyze their own independent atomistic simulations, and decide which method to use and which questions to ask in their research project. It is written in a clear and precise language, focusing on a thorough understanding of the concepts behind the equations and how these are used in the simulations. As a result, readers will learn how to design the computational model and which parameters oAtomsMolecular dynamics -- Computer simulationMoleculesAtomsComputer simulationMolecular dynamicsComputer simulationPhysicsHILCCHuman Anatomy & PhysiologyHILCCHealth & Biological SciencesHILCCPhysical Sciences & MathematicsHILCCAtomic PhysicsHILCCAnimal BiochemistryHILCCAtoms.Molecular dynamics -- Computer simulation.Molecules.AtomsComputer simulation.Molecular dynamicsComputer simulation.PhysicsHuman Anatomy & PhysiologyHealth & Biological SciencesPhysical Sciences & MathematicsAtomic PhysicsAnimal Biochemistry539.70113Brázdová Veronika1718798Bowler David R1718799AU-PeELAU-PeELAU-PeELBOOK9910808585903321Atomistic Computer Simulations4116051UNINA