Titlebook: Concepts, Methods and Applications of Quantum Systems in Chemistry and Physics; Selected proceedings Yan A. Wang,Mark Thachuk,Jean Maruani

意外的成功

Infelicity

CLAMP

Indelible

John Skinner,Alister Hart,Ashley Matthiesed from the obtained diabatic potential and another was calculated by DFT calculation. Diabatic potentials were also obtained using fewer reference points than conventional methods at various intermolecular distances. Finally, we discuss the resulting diabatic potential and non-diagonal elements in detail.

MAOIS

Annotate

歡呼

Matrix Elements for Explicitly-Correlated Atomic Wave Functionst correlation factor . can occur as a power multiplying an orbital functional form (a . function) and/or in an exponent (producing .). Hylleraas functions in which each wave-function term contains at most one linear . factor define a method known as .. This paper reviews the analytical methods avail

通情達(dá)理

Effective Bond-Strength Indicators of performing numerous, tedious calculations of individual bond dissociation energies (BDEs) for all bonds within a molecule. Based on the commonly available structure-property indicators for bond strength, such as bond length (.), the Mulliken interatomic electron number (MIEN), the Wiberg bond or

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Advanced Relativistic Energy Approach in Electron-Collisional Spectroscopy of Multicharged Ions in Pof the multicharged ions in plasmas, in particular, computing the electron-ion collision strengths, cross-sections etc. The approach is combined with relativistic many-body perturbation theory with the Debye shielding model Hamiltonian for electron-nuclear and electron-electron systems. The optimize

某人

Relativistic Quantum Chemistry and Spectroscopy of Exotic Atomic Systems with Accounting for Strong quation approach and relativistic many-body perturbation theory (electron subsystem). The key feature of the theory is simultaneous accounting for the electromagnetic and strong pion-nuclear interactions by means of using the generalized radiation and strong pion-nuclear optical potentials. The nucl