Recent Advances In Multireference Methods
Delano Pun Chong · Kimihiko Hirao
fev, 1999 · Recent Advances In Computational Chemistry 4-kitob · World Scientific
E-kitob
224
Sahifalar soni
family_home
Yaroqli
info
reportReytinglar va sharhlar tasdiqlanmagan Batafsil
Bu e-kitob haqida
Recently, accurate ab initio quantum computational chemistry has evolved dramatically. In particular, the development of multireference-based approaches has opened up a whole new area and has also had a profound impact on the potential of theoretical chemistry.The multiconfigurational SCF (MCSCF)/CASSCF method is an attempt to generalize the Hartree-Fock (HF) model and to treat real chemical processes, where nondynamic correlation is important, while keeping the conceptual simplicity of the HF model as much as possible. Although MCSCF/CASSCF itself does not include dynamic correlations, it provides a good starting point for such studies. There are three approaches to handling dynamic correlations. Beginning with the MSSCF/CASSCF wave function, they are the variational (MRCI), perturbational (MRPT) and cluster expansion (MRCC) approaches.This important book presents the most recent and important developments in multireference-based approaches and their applications. Its main purpose is to highlight essential aspects of the frontiers of multireference theory and provide readers with the fundamental knowledge necessary for further development.
Bu e-kitobni baholang
Fikringizni bildiring.
Qayerda o‘qiladi
Smartfonlar va planshetlar
Android va iPad/iPhone uchun mo‘ljallangan Google Play Kitoblar ilovasini o‘rnating. U hisobingiz bilan avtomatik tazrda sinxronlanadi va hatto oflayn rejimda ham kitob o‘qish imkonini beradi.
Noutbuklar va kompyuterlar
Google Play orqali sotib olingan audiokitoblarni brauzer yordamida tinglash mumkin.
Kitob o‘qish uchun mo‘ljallangan qurilmalar
Kitoblarni Kobo e-riderlar kabi e-siyoh qurilmalarida oʻqish uchun faylni yuklab olish va qurilmaga koʻchirish kerak. Fayllarni e-riderlarga koʻchirish haqida batafsil axborotni Yordam markazidan olishingiz mumkin.
