State- and Property-Specific Quantum Chemistry and Physics I : Framework for the Many-Electron Calculation of Properties of Discrete and of Resonance States (Lecture Notes in Chemistry)

個数：

予約

State- and Property-Specific Quantum Chemistry and Physics I : Framework for the Many-Electron Calculation of Properties of Discrete and of Resonance States (Lecture Notes in Chemistry)

Nicolaides, Cleanthes A.

ウェブストア価格 ¥29,959（本体¥27,236）
Springer Nature Switzerland AG（2026/03発売）
外貨定価 US$ 139.99
ポイント 272pt

現在予約受付中です。出版後の入荷・発送となります。
（重要：表示されている発売日は予定となり、発売が延期、中止、生産限定品で商品確保ができないなどの理由により、ご注文をお取消しさせていただく場合がございます。予めご了承ください。）

●3Dセキュア導入とクレジットカードによるお支払いについて

【入荷遅延について】
世界情勢の影響により、海外からお取り寄せとなる洋書・洋古書の入荷が、表示している標準的な納期よりも遅延する場合がございます。
おそれいりますが、あらかじめご了承くださいますようお願い申し上げます。

◆画像の表紙や帯等は実物とは異なる場合があります。

◆ウェブストアでの洋書販売価格は、弊社店舗等での販売価格とは異なります。
また、洋書販売価格は、ご注文確定時点での日本円価格となります。
ご注文確定後に、同じ洋書の販売価格が変動しても、それは反映されません。

製本 Hardcover:ハードカバー版
言語 ENG
商品コード 9783032097552

Full Description

This book, the first volume of a two-part monograph, is centered on key background fundamentals and results, and on the description of the State- and Property-Specific Approach (SPSA) to the construction and implementation of efficacious methods for the quantitative solution of various types of time-independent or time-dependent problems in Quantum Chemistry and in Atomic, Molecular, Optical, and Chemical Physics. By going beyond the standard many-electron problem for ground states, the discussion mainly addresses the key aspects of the SPSA methodology for the calculation of wavefunctions of excited discrete states and of resonance (autoionizing) states that are tailored to each property or phenomenon of interest. In particular, the SPSA uses state-specific function spaces and practicable computational methods that allow insightful and economic descriptions of excited-state electronic structures and the systematic calculation of the interplay between electronic structures (including electron correlations) on the one hand and spectra and dynamics on the other. The Hamiltonians (nonrelativistic or relativistic) are either field-free or include weak or strong electromagnetic fields that may be static, or periodic, or pulsed. The arguments and commentary in both volumes of the monograph are supported by a plethora of numerical examples and by comparisons with experiment.

Elements of quantum theory and the concept of "state of the system".- Prefatory remarks, and synopsis of aspects of some of the monograph's themes.- Perturbation and variation theory. A gleaning of results and commentary.- The Hartree-Fock method: A state-specific zero-order model of electronic structures, and its extension.- Pre-1970s: Features of the theory of electron correlation for ground states.- The state- and property-specific approach. I. Main features.- State- and property-specific approach. II. Calculation of properties.- Unstable/resonance states: Elements of theory and examples.