TOP
量子化學 第6版(簡體書)
滿額折

量子化學 第6版(簡體書)

商品資訊

人民幣定價:115 元
定價
:NT$ 690 元
優惠價
87600
絕版無法訂購
無法訂購
商品簡介
目次

商品簡介

《民法總則重大疑難問題研究》以民事法律關系的主體、客體和內容三要素為綱,構建民法總則的基本邏輯體系,全面研究民法總則制定中的重大、疑難問題。在民事主體方面,重點闡釋民事法律關系的民法方法論的意義和作用,探討民事主體制度中的成年監護、連體人和植物人等特殊民事主體:以及個人合伙的法律地位和法律保護問題。在民事客體方面,認為民事法律關系客體的基本內容是民事利益,物的類型化的必要性,以及對動物的民法特別保護。在民事法律關系內容方面,則著重研究請求權的體系、類型和作用,特別是研究請求權作為民祛方法的重要意義,研究形成權與抗辯叔的基本屬性及規則,特別是在民事法律行為方面著重研究戲譫行為的性質及處理規則。《民法總則重大疑難問題研究》就這些問題進行研究,都提出了獨到的結論,對于完善我國民法總則立法具有重要意義。

目次

preface ix
1 the schrodinger equation
1.1 quantum chemistry,
1.2 historical background of quantum mechanics,
1.3 the uncertainty principle,
1.4 the time-dependent schr6dinger equation,
1.5 the time-independent schr6dinger equation,
1.6 probability,
1.7 complex numbers,
1.8 units,
1.9 calculus,
1.10 summary,

2 the particle in a box
2.1 differential equations,
2.2 particle in a one-dimensional box,
2.3 the free particle in one dimension,
2.4 particle in a rectangular well,
2.5 tunneling,
2.6 summary,

3 operators
3.1 operators,
3.2 eigenfunctions and eigenvalues,
3.3 operators and quantum mechanics,
3.4 the three-dimensional, many-particle schr6dinger equation,
3.5 the particle in a three-dimensional box,
3.6 degeneracy,
3.7 average values,
3.8 requirements for an acceptable wave function,
3.9 summary,

4 the harmonic oscillator
4.1 power-series solution of differential equations,
4.2 the one-dimensional harmonic oscillator,
4.3 vibration of molecules,
4.4 numerical solution of the one-dimensional time-independent schrodinger equation,
4.5 summary,

5 angular momentum
5.1 simultaneous specification of several properties,
5.2 vectors,
5.3 angular momentum of a one-particle system,
5.4 the ladder-operator method for angular momentum,
5.5 summary,

6 the hydrogen atom
6.1 the one-particle central-force problem,
6.2 noninteracting particles and separation of variables,
6.3 reduction of the two-particle problem to two one-particle problems,
6.4 the two-particle rigid rotor,
6.5 the hydrogen atom,
6.6 the bound-state hydrogen-atom wave functions,
6.7 hydrogenlike orbitals,
6.8 the zeeman effect,
6.9 numerical solution of the radial schrodinger equation,
6.10 summary,

7 theorems of quantum mechanics
7.1 introduction,
7.2 hermitian operators,
7.3 expansion in terms of eigenfunctions,
7.4 eigenfunctions of commuting operators,
7.5 parity,
7.6 measurement and the superposition of states,
7.7 position eigenfunctions,
7.8 the postulates of quantum mechanics,
7.9 measurement and the interpretation of quantum mechanics,
7.10 matrices,
7.11 summary,

8 the variation method
8.1 the variation theorem,
8.2 extension of the variation method,
8.3 determinants,
8.4 simultaneous linear equations,
8.5 linear variation functions,
8.6 matrices, eigenvalues, and eigenvectors,
8.7 summary,

9 perturbation theory
9.1 introduction,
9.2 nondegenerate perturbation theory,
9.3 perturbation treatment of the helium-atom ground state,
9.4 variation treatments of the ground state of helium,
9.5 perturbation theory for a degenerate energy level,
9.6 simplification of the secular equation,
9.7 perturbation treatment of the first excited states of helium,
9.8 comparison of the variation and perturbation methods,
9.9 time-dependent perturbation theory,
9.10 interaction of radiation and matter,
9.11 summary,

10 electron spin and the spin-statistics theorem
10.1 electron spin,
10.2 spin and the hydrogen atom,
10.3 the spin-statistics theorem,
10.4 the helium atom,
10.5 the pauli exclusion principle,
10.6 slater determinants,
10.7 perturbation treatment of the lithium ground state,
10.8 variation treatments of the lithium ground state,
10.9 spin magnetic moment,
10.10 ladder operators for electron spin,
10.11 summary,

11 many-electron atoms
11.1 the hartree-fock self-consistent-field method,
11.2 orbitals and the periodic table,
11.3 electron correlation,
11.4 addition of angular momenta,
11.5 angular momentum in many-electron atoms,
11.6 spin-orbit interaction,
11.7 the atomic hamiltonian,
11.8 the condon-slater rules,
11.9 summary,

12 molecular symmetry
12.1 symmetry elements and operations,
12.2 symmetry point groups,
12.3 summary,

13 electronic structure of diatomic molecules
13.1 the born-oppenheimer approximation,
13.2 nuclear motion in diatomic molecules,
13.3 atomic units,
13.4 the hydrogen molecule ion,
13.5 approximate treatments of the h+2 ground electronic state,
13.6 molecular orbitals for hi excited states,
13.7 mo configurations of homonuclear diatomic molecules,
13.8 electronic terms of diatomic molecules,
13.9 the hydrogen molecule,
13.10 the valence-bond treatment of h2,
13.11 comparison of the mo and vb theories,
13.12 mo and vb wave functions for homonuclear diatomic molecules,
13.13 excited states of he,
13.14 scf wave functions for diatomic molecules,
13.15 mo treatment of heteronuclear diatomic molecules,
13.16 vb treatment of heteronuclear diatomic molecules,
13.17 the valence-electron approximation,
13.18 summary,

14 theorems of molecular quantum mechanics
14.1 electron probability density,
14.2 dipole moments,438
14.3 the hartree-fock method for molecules,
14.4 the virial theorem,
14.5 the virial theorem and chemical bonding,
14.6 the hellmann-feynman theorem,
14.7 the electrostatic theorem,
14.8 summary,

15 molecular electronicstructure
15.1 ab initio, density-functional, semiempirical,
and molecular-mechanics methods,
15.2 electronic terms of polyatomic molecules,
15.3 the scf mo treatment of polyatomic molecules,
15.4 basis functions,
15.5 the scf mo treatment of h20,
15.6 population analysis and bond orders,
15.7 the molecular electrostatic potential, molecular surfaces,
and atomic charges,
15.8 localized mos,
15.9 the scf mo treatment of methane, ethane, and ethylene,
15.10 molecular geometry,
15.11 conformational searching,
15.12 molecular vibrational frequencies,
15.13 thermodynamic properties,
15.14 ab initio quantum chemistry programs,
15.15 performing ab initio calculations,
15.16 speeding up hartree-fock calculations,
15.17 solvent effects,

16 electron-correlation methods
16.1 configuration interaction,
16.2 m011er-plesset (mp) perturbation theory,
16.3 the coupled-cluster method,
16.4 density-functional theory,
16.5 composite methods for energy calculations,
16.6 the diffusion quantum monte carlo method,
16.7 relativistic effects,
16.8 valence-bond treatment of polyatomic molecules,
16.9 the gvb, vbscf, and bovb methods,
16.10 chemical reactions,

17 semiempirical and molecular-mechanics treatments of molecules
17.1 semiempirical mo treatments of planar conjugated molecules,
17.2 the hiickel mo method,
17.3 the pariser-parr-pople method,
17.4 general semiempirical mo and dft methods,
17.5 the molecular-mechanics method,
17.6 empirical and semiempirical treatments of solvent effects,
17.7 chemical reactions,

18 comparisons of methods
18.1 molecular geometry,
18.2 energy changes,
18.3 other properties,
18.4 hydrogen bonding,
18.5 conclusion,
18.6 the future of quantum chemistry,
appendix
bibliography
answers to selected problems
index

購物須知

大陸出版品因裝訂品質及貨運條件與台灣出版品落差甚大,除封面破損、內頁脫落等較嚴重的狀態,其餘商品將正常出貨。

特別提醒:部分書籍附贈之內容(如音頻mp3或影片dvd等)已無實體光碟提供,需以QR CODE 連結至當地網站註冊“並通過驗證程序”,方可下載使用。

無現貨庫存之簡體書,將向海外調貨:
海外有庫存之書籍,等候約45個工作天;
海外無庫存之書籍,平均作業時間約60個工作天,然不保證確定可調到貨,尚請見諒。

為了保護您的權益,「三民網路書店」提供會員七日商品鑑賞期(收到商品為起始日)。

若要辦理退貨,請在商品鑑賞期內寄回,且商品必須是全新狀態與完整包裝(商品、附件、發票、隨貨贈品等)否則恕不接受退貨。

優惠價:87 600
絕版無法訂購

暢銷榜

客服中心

收藏

會員專區