LEADER 00821nam0 22002171i 450 001 UON00217428 005 20231205103359.979 010 $a80-901174-3-0 100 $a20030730d1995 |0itac50 ba 101 $aslo$aENG 102 $aSK 105 $a|||| ||||| 200 1 $aKulturne dedicstvo Slovenska$earchitektonické pamiatniki 210 $aBratislava$cArs Monument$d1995. 93 p.$ctav. ; 28 cm. 606 $aSLOVACCHIA$xMonumenti$xGuide$3UONC046063$2FI 801 $aIT$bSOL$c20240220$gRICA 899 $aSIBA - SISTEMA BIBLIOTECARIO DI ATENEO$2UONSI 912 $aUON00217428 950 $aSIBA - SISTEMA BIBLIOTECARIO DI ATENEO$dSI SLOVACCO E 0004 $eSI EO 31041 5 0004 996 $aKulturne dedicstvo Slovenska$91265552 997 $aUNIOR LEADER 05137nam 2200577 450 001 9910830592703321 005 20230801233455.0 010 $a1-119-01957-5 010 $a1-119-01955-9 010 $a1-119-01956-7 035 $a(CKB)3710000000222714 035 $a(EBL)1767029 035 $a(MiAaPQ)EBC1767029 035 $a(OCoLC)887802792 035 $a(EXLCZ)993710000000222714 100 $a20140831e20122000 uy 0 101 0 $aeng 135 $aur|n|---||||| 181 $2rdacontent 182 $2rdamedia 183 $2rdacarrier 200 10$aMolecular electronic-structure theory /$fTrygve Helgaker, Poul Jorgensen, Jeppe Olsen 210 1$aChichester, England :$cJohn Wiley & Sons Ltd.,$d2012. 210 4$d©2000 215 $a1 online resource (940 p.) 300 $aDescription based upon print version of record. 311 $a0-471-96755-6 311 $a1-118-53147-7 320 $aIncludes bibliographical references and index. 327 $aCover; Title Page; Copyright; Contents; Preface; Overview; Programs used in the preparation of this book; 1 Second Quantization; 1.1 The Fock space; 1.2 Creation and annihilation operators; 1.2.1 Creation operators; 1.2.2 Annihilation operators; 1.2.3 Anticommutation relations; 1.3 Number-conserving operators; 1.3.1 Occupation-number operators; 1.3.2 The number operator; 1.3.3 Excitation operators; 1.4 The representation of one- and two-electron operators; 1.4.1 One-electron operators; 1.4.2 Two-electron operators; 1.4.3 The molecular electronic Hamiltonian 327 $a1.5 Products of operators in second quantization1.5.1 Operator products; 1.5.2 The canonical commutators; 1.6 First- and second-quantization operators compared; 1.7 Density matrices; 1.7.1 The one-electron density matrix; 1.7.2 The two-electron density matrix; 1.7.3 Density matrices in spin-orbital and coordinate representations; 1.8 Commutators and anti commutators; 1.9 Nonorthogonal spin orbitals; 1.9.1 Creation and annihilation operators; 1.9.2 One- and two-electron operators; 1.9.3 Biorthogonal operators; References; Further reading; Exercises; Solutions; 2 Spin in Second Quantization 327 $a2.1 Spin functions2.2 Operators in the orbital basis; 2.2.1 Spin-free operators; 2.2.2 Spin operators; 2.2.3 Mixed operators; 2.3 Spin tensor operators; 2.3.1 Spin tensor operators; 2.3.2 Creation and annihilation operators; 2.3.3 Two-body creation operators; 2.3.4 Excitation operators; 2.3.5 Singlet excitation operators; 2.4 Spin properties of determinants; 2.4.1 General considerations; 2.4.2 Spin projection of determinants; 2.4.3 Total spin of determinants; 2.5 Configuration state functions; 2.6 The genealogical coupling scheme; 2.6.1 Representations of determinants and CSFs 327 $a2.6.2 Genealogical coupling2.6.3 Coupling coefficients; 2.6.4 An example: three electrons in three orbitals; 2.6.5 Completeness and orthonormality; 2.6.6 Transformations between determinant and CSF bases; 2.6.7 Genealogical coupling of operators; 2.7 Density matrices; 2.7.1 Orbital-density matrices; 2.7.2 Spin-density matrices; 2.7.3 Density functions; References; Further reading; Exercises; Solutions; 3 Orbital Rotations; 3.1 Unitary transformations and matrix exponentials; 3.1.1 Matrix exponentials; 3.1.2 Exponential representations of unitary matrices; 3.1.3 Special unitary matrices 327 $a3.1.4 Orthogonal matrices3.1.5 Evaluation of matrix exponentials; 3.1.6 Nonunitary transformations; 3.2 Unitary spin-orbital transfonnations; 3.2.1 Unitary matrix expansions of creation and annihilation operators; 3.2.2 Exponential unitary transfonnations of the elementary operators; 3.2.3 Exponential unitary transfonnations of states in Fock space; 3.3 Symmetry-restricted unitary transfonnations; 3.3.1 The need for symmetry restrictions; 3.3.2 Symmetry restrictions in the spin-orbital basis; 3.3.3 Symmetry restrictions in the orbital basis; 3.4 The logarithmic matrix function 327 $a3.4.1 Definition of the logarithmic matrix function 330 $aAb initio quantum chemistry has emerged as an important tool in chemical research and is appliced to a wide variety of problems in chemistry and molecular physics. Recent developments of computational methods have enabled previously intractable chemical problems to be solved using rigorous quantum-mechanical methods.This is the first comprehensive, up-to-date and technical work to cover all the important aspects of modern molecular electronic-structure theory. Topics covered in the book include:* Second quantization with spin adaptation* Gaussian basis sets and molecular-integral evaluation* H 606 $aMolecular structure 606 $aElectronic structure 615 0$aMolecular structure. 615 0$aElectronic structure. 676 $a541.28 700 $aHelgaker$b Trygve$0597004 702 $aJørgensen$b Poul$f1944- 702 $aOlsen$b Jeppe 801 0$bMiAaPQ 801 1$bMiAaPQ 801 2$bMiAaPQ 906 $aBOOK 912 $a9910830592703321 996 $aMolecular electronic-structure theory$92258747 997 $aUNINA LEADER 01872nam 2200337 450 001 996682981203316 005 20251023145151.0 010 $a978-88-04-78243-8 100 $a20221013d2024----km y0itay5003 ba 101 1 $aita$ceng 102 $aIT 105 $ay 00 y 200 1 $aMercenari$edall'epoca coloniale al gruppo Wagner$fChristopher Kinsey$gtraduzione di Sara Crimi e Laura Tasso 210 $aMilano$cMondadori$d2024 215 $aXIV, 415 p.$d20 cm 225 2 $aOscar storia$v242 330 $aDalla Rivoluzione francese in poi, con l?ascesa degli eserciti nazionali, i mercenari sono stati visti come individui malvagi e attori marginali nel campo delle relazioni tra Stati. Il documentatissimo saggio di Christopher Kinsey sfata questo luogo comune, dimostrando invece che, sebbene siano rimaste per lo più lontane dai «grandi giochi», in realtà le armate di professionisti remunerati hanno svolto un ruolo cruciale e sono state uno strumento di politica estera fondamentale nelle mani del potere. E oggi sono tutt?altro che uscite di scena. Mercenari colloca in una prospettiva storica l?attuale tendenza a privatizzare le guerre, con uno sguardo geografico non eurocentrico ma di portata davvero globale che inquadra in primis Russia, Cina, Africa e Medio Oriente: un contributo di inedita profondità spazio-temporale al dibattito geopolitico contemporaneo. 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