| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
Accurate solutions of the Schrödinger and Dirac equations of H 2 + , HD+, and HT+: With and without Born–Oppenheimer approximation and under magnetic field
|
Ishikawa, Atsushi
|
|
2012
|
401 |
C |
p. 62-72
11 p.
|
artikel
|
| 2 |
A QM/MM-MD study on protein electronic properties: Circular dichroism spectra of oxytocin and insulin
|
Kitagawa, Yuya
|
|
2012
|
401 |
C |
p. 95-102
8 p.
|
artikel
|
| 3 |
Biorthogonal moment expansions in coupled-cluster theory: Review of key concepts and merging the renormalized and active-space coupled-cluster methods
|
Shen, Jun
|
|
2012
|
401 |
C |
p. 180-202
23 p.
|
artikel
|
| 4 |
Bridging the gap between quantum Monte Carlo and F12-methods
|
Chinnamsetty, Sambasiva Rao
|
|
2012
|
401 |
C |
p. 36-44
9 p.
|
artikel
|
| 5 |
Calculation of the two-electron Darwin term using explicitly correlated wave functions
|
Middendorf, Nils
|
|
2012
|
401 |
C |
p. 146-151
6 p.
|
artikel
|
| 6 |
Charge-consistent redefinition of Fock integrals
|
Ohnishi, Yu-ya
|
|
2012
|
401 |
C |
p. 152-156
5 p.
|
artikel
|
| 7 |
Constrained variational approach for energy derivatives in Intermediate Hamiltonian Fock-space coupled-cluster theory
|
Ghosh, Aryya
|
|
2012
|
401 |
C |
p. 45-49
5 p.
|
artikel
|
| 8 |
Contents
|
|
|
2012
|
401 |
C |
p. v-xi
nvt p.
|
artikel
|
| 9 |
Editorial – Electron correlation
|
|
|
2012
|
401 |
C |
p. 1-
1 p.
|
artikel
|
| 10 |
Efficient iterative diagonalization of the Bose–Hubbard model for ultracold bosons in a periodic optical trap
|
Szabados, Ágnes
|
|
2012
|
401 |
C |
p. 208-216
9 p.
|
artikel
|
| 11 |
Ground and excited state geometries via Mukherjee’s multireference coupled-cluster method
|
Jagau, Thomas-C.
|
|
2012
|
401 |
C |
p. 73-87
15 p.
|
artikel
|
| 12 |
IFC (Editorial Board)
|
|
|
2012
|
401 |
C |
p. IFC-
1 p.
|
artikel
|
| 13 |
Long-range asymptotic expansion of the diagonal Born–Oppenheimer correction
|
Przybytek, Michał
|
|
2012
|
401 |
C |
p. 170-179
10 p.
|
artikel
|
| 14 |
Meaning and magnitude of the reduced density matrix cumulants
|
Hanauer, Matthias
|
|
2012
|
401 |
C |
p. 50-61
12 p.
|
artikel
|
| 15 |
Multireference coupled cluster study of the oxyallyl diradical
|
Šimsa, Daniel
|
|
2012
|
401 |
C |
p. 203-207
5 p.
|
artikel
|
| 16 |
Nonadiabatic coupling terms for the GVVPT2 variant of multireference perturbation theory
|
Khait, Yuriy G.
|
|
2012
|
401 |
C |
p. 88-94
7 p.
|
artikel
|
| 17 |
Nuclear size effects in rotational spectra: A tale with a twist
|
Knecht, Stefan
|
|
2012
|
401 |
C |
p. 103-112
10 p.
|
artikel
|
| 18 |
On the approximation of the similarity-transformed Hamiltonian in single-reference and multireference coupled cluster theory
|
Evangelista, Francesco A.
|
|
2012
|
401 |
C |
p. 27-35
9 p.
|
artikel
|
| 19 |
Quartic scaling analytical gradients of scaled opposite-spin CC2
|
Winter, Nina O.C.
|
|
2012
|
401 |
C |
p. 217-227
11 p.
|
artikel
|
| 20 |
Recursive formulation of the multiconfigurational time-dependent Hartree method for fermions, bosons and mixtures thereof in terms of one-body density operators
|
Alon, Ofir E.
|
|
2012
|
401 |
C |
p. 2-14
13 p.
|
artikel
|
| 21 |
Separation of strong (bond-breaking) from weak (dynamical) correlation
|
Kutzelnigg, Werner
|
|
2012
|
401 |
C |
p. 119-124
6 p.
|
artikel
|
| 22 |
Single reference Coupled Cluster treatment of nearly degenerate problems: Cohesive energy of antiferromagnetic lattices of spin 1 centers
|
Malrieu, Jean-Paul
|
|
2012
|
401 |
C |
p. 130-135
6 p.
|
artikel
|
| 23 |
State specific multireference Møller–Plesset perturbation theory: A few applications to ground, excited and ionized states
|
Chattopadhyay, Sudip
|
|
2012
|
401 |
C |
p. 15-26
12 p.
|
artikel
|
| 24 |
The coupled cluster approach with a hybrid treatment of connected triple excitations: Spectroscopic constants in open-shell diatomic molecules, and bond-breaking or twisting potential energy surfaces
|
Kou, Zhuangfei
|
|
2012
|
401 |
C |
p. 113-118
6 p.
|
artikel
|
| 25 |
The optimized orbital coupled cluster doubles method and optical rotation
|
Lindh, Grant D.
|
|
2012
|
401 |
C |
p. 125-129
5 p.
|
artikel
|
| 26 |
Various formulations of the Fock-space coupled-cluster method: Advantages and disadvantages in their practical implementations
|
Meissner, Leszek
|
|
2012
|
401 |
C |
p. 136-145
10 p.
|
artikel
|
| 27 |
Wavefunction quality of single- and multi-reference coupled-cluster and configuration interaction methods: The P4 and H8 model systems
|
Pape, Daniel
|
|
2012
|
401 |
C |
p. 157-169
13 p.
|
artikel
|
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