羅平亞（1940.06-），男，教授、博士生導師，中國工程院院士，四川省學術(shù)和技術(shù)帶頭人，享受國務(wù)院政府特殊津貼專家，國家級有突出貢獻的中青年專家，“孫越崎能源大獎”獲得者。國務(wù)院學位委員會第三屆、第四屆學科評議組成員、四川省學位委員會委員長期從事石油天然氣鉆井和開發(fā)方面的研究與教學工作，是我國油田化學及與之相關(guān)的石油工程技術(shù)領(lǐng)域方面的著名專家。發(fā)表科研論文100余篇，主持、參與和完成40多項國家和省部級科研項目，獲省部級以上獎30余項（其中國家級獎7項，省部級一等獎13項），出版專著6部，培養(yǎng)碩士、博士100多人。張雷（1967.02-），男，教授、博士生導師，葡萄牙科英布拉大學理論與計算化學專業(yè)博士（后）四川省學術(shù)和技術(shù)帶頭人，國家自然科學基金委地球科學部、化學科學部項目評議人入選2007年度四川省杰出青年學科帶頭人培養(yǎng)資助計劃主要從事理論與計算化學、應(yīng)用化學、化學工程等學科領(lǐng)域研究、教學工作發(fā)表論著50余篇，其中在Phy s. Chem Chem.Phys.，J Phys. Chem. A等國際知名學術(shù)期刊上發(fā)表SCI收錄論文20余篇，主持國家自然科學基金等國家級項目2項，主持四川省青年科技基金等省部級基金項目6項，主研同973計劃項目等國家級項目7項。
圖書目錄
Introduction Bibliography Part Ⅰ Theoretical Framework Chapter 1 Potential Energy Surfaces 1.1 Born-Oppenheimer approximation 1.1.1 The total Hamiltonian 1.1.2 Adiabatic representation 1.1.3 Diabatic representation 1.1.4 Diabatic-to-Adiabatic transformation 1.1.5 Two-State model 1.2 The solution of the electronic problem 1.3 Abinitio potentialenergy surfaces 1.3.1 Correlation energy partitioning 1.3.2 Semiempirical correction of ab initio energies 1.4 Semiempirical global potential energy surfaces 1.4.1 Diatomics-in-molecules theory 1.4.2 The double many-body expansion method 1.4.3 Energy-switching scheme for spectroscopically accurate functions Bibliography Chapter 2 Reaction Dynamics 2.1 Classical scattering 2.1.1 Molecule collision theory 2.1.2 Statistical averaging 2.2 The quasiclassical trajectory method 2.2.1 Classical Hamiltonian mechanics 2.2.2 Coordinate systems and transformations 2.2.3 Selection of initial states 2.2.4 Integration of the equations of motion 2.2.5 Analysis of finalstates 2.2.6 Treatment of the zero-point energy problem 2.3 Quantum reaction dynamics: a synopsis 2.3.1 Theinteraction picture 2.3.2 Time-dependent approaches 2.3.3 Time-independent approaches 2.3.4 Reduced dimensionality approaches Bibliography Part Ⅱ Case Studies Chapter 3 Dynamics of the OH（v）＋O3（Eu） Atmospheric Reaction Test Studies on the Potential Energy Surface and Rate C,onstant for the OH+O3 Atmospheric Reaction Dynamics of the OH（v=l.2.4）+03 Atmospheric Reaction OH（v）+03 : Does Chemical Reaction Dominate over Non-reactive Quenchings？ Dynamics Study of the OH-I-03 Atmospheric Reaction with Both Reactants Vibrationally Excited Vibrational Relaxation of Highly Vibrationally Excited 03 in Collisions with OH Dynamics Study of the Atmospheric Reaction Involving Vibrationally Excited 03with OH ……
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