相关参考文献
注意:仅列出部分参考文献,下载原文获取全部文献信息。Solved and unsolved problems in relativistic quantum chemistry
Werner Kutzelnigg
CHEMICAL PHYSICS (2012)
Invited review: Relativistic wave-function based electron correlation methods
Timo Fleig
CHEMICAL PHYSICS (2012)
Quantum Electrodynamics Effects in Rovibrational Spectra of Molecular Hydrogen
Jacek Komasa et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2011)
Comparison of restricted, unrestricted, inverse, and dual kinetic balances for four-component relativistic calculations
Qiming Sun et al.
THEORETICAL CHEMISTRY ACCOUNTS (2011)
Effect of removing the no-virtual pair approximation on the correlation energy of the He isoelectronic sequence. II. Point nuclear charge model
Yoshihiro Watanabe et al.
JOURNAL OF CHEMICAL PHYSICS (2010)
Scalar relativistic explicitly correlated R12 methods
Florian A. Bischoff et al.
JOURNAL OF CHEMICAL PHYSICS (2010)
Ideas of relativistic quantum chemistry
Wenjian Liu
MOLECULAR PHYSICS (2010)
Quantum electrodynamic corrections for the valence shell in heavy many-electron atoms
C. Thierfelder et al.
PHYSICAL REVIEW A (2010)
Four-component relativistic theory for nuclear magnetic shielding: Magnetically balanced gauge-including atomic orbitals
Lan Cheng et al.
JOURNAL OF CHEMICAL PHYSICS (2009)
Exact two-component relativistic theory for nuclear magnetic resonance parameters
Qiming Sun et al.
JOURNAL OF CHEMICAL PHYSICS (2009)
Four-component relativistic theory for NMR parameters: Unified formulation and numerical assessment of different approaches
Lan Cheng et al.
JOURNAL OF CHEMICAL PHYSICS (2009)
Relativistic theory of nuclear magnetic resonance parameters in a Gaussian basis representation
Werner Kutzelnigg et al.
JOURNAL OF CHEMICAL PHYSICS (2009)
Exact two-component Hamiltonians revisited
Wenjian Liu et al.
JOURNAL OF CHEMICAL PHYSICS (2009)
Two Electrons on a Hypersphere: A Quasiexactly Solvable Model
Pierre-Francois Loos et al.
PHYSICAL REVIEW LETTERS (2009)
High-resolution spectroscopic studies and theory of parity violation in chiral molecules
Martin Quack et al.
ANNUAL REVIEW OF PHYSICAL CHEMISTRY (2008)
A fully relativistic method for calculation of nuclear magnetic shielding tensors with a restricted magnetically balanced basis in the framework of the matrix Dirac-Kohn-Sham equationa)
Stanislav Komorovsky et al.
JOURNAL OF CHEMICAL PHYSICS (2008)
Relativistic Hylleraas configuration-interaction method projected into positive-energy space
M. Bylicki et al.
PHYSICAL REVIEW A (2008)
Making four- and two-component relativistic density functional methods fully equivalent based on the idea of from atoms to molecule
Daoling Peng et al.
JOURNAL OF CHEMICAL PHYSICS (2007)
Complex coordinate rotation and relativistic Hylleraas-CI: helium isoelectronic series
G. Pestka et al.
JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS (2007)
Four-component relativistic theory for nuclear magnetic shielding constants: Critical assessments of different approaches
Yunlong Xiao et al.
JOURNAL OF CHEMICAL PHYSICS (2007)
Effect of removing the no-virtual-pair approximation on the correlation energy of the He isoelectronic sequence
Yoshihiro Watanabe et al.
JOURNAL OF CHEMICAL PHYSICS (2007)
Four-component relativistic theory for nuclear magnetic shielding constants: The orbital decomposition approach
Yunlong Xiao et al.
JOURNAL OF CHEMICAL PHYSICS (2007)
An infinite-order two-component relativistic Hamiltonian by a simple one-step transformation
Miroslav Ilias et al.
JOURNAL OF CHEMICAL PHYSICS (2007)
Infinite-order quasirelativistic density functional method based on the exact matrix quasirelativistic theory (vol 125, pg 044102, 2006)
Wenjian Liu et al.
JOURNAL OF CHEMICAL PHYSICS (2006)
Infinite-order quasirelativistic density functional method based on the exact matrix quasirelativistic theory
Wenjian Liu et al.
JOURNAL OF CHEMICAL PHYSICS (2006)
Application of the complex-coordinate rotation to the relativistic Hylleraas-CI method: a case study
G. Pestka et al.
JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS (2006)
Quasirelativistic theory equivalent to fully relativistic theory
W Kutzelnigg et al.
JOURNAL OF CHEMICAL PHYSICS (2005)
Dual kinetic balance approach to basis-set expansions for the Dirac equation
VM Shabaev et al.
PHYSICAL REVIEW LETTERS (2004)
Explicitly correlated second order perturbation theory: Introduction of a rational generator and numerical quadratures
S Ten-no
JOURNAL OF CHEMICAL PHYSICS (2004)
Initiation of explicitly correlated Slater-type geminal theory
S Ten-No
CHEMICAL PHYSICS LETTERS (2004)
Rayleigh-Ritz approximation of the Dirac operator in atomic and molecular physics
IP Grant et al.
PHYSICAL REVIEW A (2000)